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Hydralazine

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
image of chemical
 

General Information

Common Name: Hydralazine
IUPAC Name: phthalazin-1-ylhydrazine
Molecular Formula: C8H8N4
SMILES: C1=CC=C2C(=C1)C=NN=C2NN
Inchi: 1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)
Inchi Key: RPTUSVTUFVMDQK-UHFFFAOYSA-N
Cas No: 304-20-1

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 0
Veber Violations 0
Egan Violations 0
Muegge Violations 1

Cross References

PubChem: 3637
Zinc: ZINC12360535
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 160.18
Mass (g/mol) 160.075
Molar Refractivity 46.74
Net Charge 1
HBD 2
HBA 3
Rt Bonds 1
Rings 2
TPSA 63.83
Hetero Atoms 4
Heavy Atoms 12
Aromatic Heavy Atoms 10
Melting Point (°C) 172-173
Boiling Point (°C@760.00mm Hg) 251.3
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.00
LogP 0.915
iLOGP 0.78
XLOGP3 1.00
WLOGP 0.72
MLOGP 1.17
ESOL Log S -2.01
ESOL Solubility (mg/ml) 1.55
ESOL Solubility (mol/l) 0.01
ESOL Class: esol_class Soluble
Ali Log S -1.93
Ali Solubility (mg/ml) 1.88
Ali Solubility (mol/l) 0.01
Ali Class Very soluble
Silicos-IT LogSw -3.01
Silicos-IT Solubility (mg/ml) 0.16
Silicos-IT Solubility (mol/l) 0
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -6.57
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.899
CYP1A2 Inhibitor 1
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 1
Acute Oral Toxicity 2.964
Carcinogenicity (Binary) 0
Carcinogenicity (Trinary) Non-required
Eye Irritation 1
Hepatotoxicity 1
Androgen Receptor Binding 0
Aromatase Binding 0
Estrogen Receptor Binding 0
Glucocorticoid Receptor Binding 0
Thyroid Receptor Binding 1
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 1