1H-1,4-benzodiazepin-7-ol

C9H8N2O — CID 174660339

IUPAC1H-1,4-benzodiazepin-7-ol
SMILESOc1ccc2c(c1)C=NC=CN2
InChIInChI=1S/C9H8N2O/c12-8-1-2-9-7(5-8)6-10-3-4-11-9/h1-6,11-12H
InChIKeyOFZYDSWXNGGOPX-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.71
Rot. Bonds

About 1H-1,4-benzodiazepin-7-ol

1H-1,4-benzodiazepin-7-ol (PubChem CID 174660339) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 1H-1,4-benzodiazepin-7-ol.

Molecular Properties

Compound Name1H-1,4-benzodiazepin-7-ol
PubChem CID174660339
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name1H-1,4-benzodiazepin-7-ol
SMILESOc1ccc2c(c1)C=NC=CN2
InChIInChI=1S/C9H8N2O/c12-8-1-2-9-7(5-8)6-10-3-4-11-9/h1-6,11-12H
InChIKeyOFZYDSWXNGGOPX-UHFFFAOYSA-N
XLogP1.71
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 1H-1,4-benzodiazepin-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-1,4-benzodiazepin-7-ol?
The IUPAC name of 1H-1,4-benzodiazepin-7-ol (CID 174660339) is 1H-1,4-benzodiazepin-7-ol.
What is the SMILES notation for 1H-1,4-benzodiazepin-7-ol?
The canonical SMILES for 1H-1,4-benzodiazepin-7-ol is Oc1ccc2c(c1)C=NC=CN2.
What is the InChIKey of 1H-1,4-benzodiazepin-7-ol?
The InChIKey is OFZYDSWXNGGOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-8-1-2-9-7(5-8)6-10-3-4-11-9/h1-6,11-12H.
What are the key properties of 1H-1,4-benzodiazepin-7-ol?
1H-1,4-benzodiazepin-7-ol has a molecular weight of 160.18 g/mol, XLogP of 1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,4-benzodiazepin-7-ol is sourced from PubChem (CID 174660339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).