3H-1,5-benzodiazepin-6-ol

C9H8N2O — CID 56635064

IUPAC3H-1,5-benzodiazepin-6-ol
SMILESOc1cccc2c1N=CCC=N2
InChIInChI=1S/C9H8N2O/c12-8-4-1-3-7-9(8)11-6-2-5-10-7/h1,3-6,12H,2H2
InChIKeyZTMJDAVUFHIFJY-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.20
Rot. Bonds

About 3H-1,5-benzodiazepin-6-ol

3H-1,5-benzodiazepin-6-ol (PubChem CID 56635064) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 3H-1,5-benzodiazepin-6-ol.

Molecular Properties

Compound Name3H-1,5-benzodiazepin-6-ol
PubChem CID56635064
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name3H-1,5-benzodiazepin-6-ol
SMILESOc1cccc2c1N=CCC=N2
InChIInChI=1S/C9H8N2O/c12-8-4-1-3-7-9(8)11-6-2-5-10-7/h1,3-6,12H,2H2
InChIKeyZTMJDAVUFHIFJY-UHFFFAOYSA-N
XLogP2.20
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3H-1,5-benzodiazepin-6-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 3H-1,5-benzodiazepin-6-ol?
The IUPAC name of 3H-1,5-benzodiazepin-6-ol (CID 56635064) is 3H-1,5-benzodiazepin-6-ol.
What is the SMILES notation for 3H-1,5-benzodiazepin-6-ol?
The canonical SMILES for 3H-1,5-benzodiazepin-6-ol is Oc1cccc2c1N=CCC=N2.
What is the InChIKey of 3H-1,5-benzodiazepin-6-ol?
The InChIKey is ZTMJDAVUFHIFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-8-4-1-3-7-9(8)11-6-2-5-10-7/h1,3-6,12H,2H2.
What are the key properties of 3H-1,5-benzodiazepin-6-ol?
3H-1,5-benzodiazepin-6-ol has a molecular weight of 160.18 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-1,5-benzodiazepin-6-ol is sourced from PubChem (CID 56635064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).