1H-2,3-benzodiazepine

C9H8N2 — CID 12663273

IUPAC1H-2,3-benzodiazepine
SMILESC1=Cc2ccccc2CN=N1
InChIInChI=1S/C9H8N2/c1-2-4-9-7-11-10-6-5-8(9)3-1/h1-6H,7H2
InChIKeyOLRIRHKFQLSJTO-UHFFFAOYSA-N
MW144.18 g/mol
LogP2.62
Rot. Bonds

About 1H-2,3-benzodiazepine

1H-2,3-benzodiazepine (PubChem CID 12663273) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 1H-2,3-benzodiazepine.

Molecular Properties

Compound Name1H-2,3-benzodiazepine
PubChem CID12663273
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name1H-2,3-benzodiazepine
SMILESC1=Cc2ccccc2CN=N1
InChIInChI=1S/C9H8N2/c1-2-4-9-7-11-10-6-5-8(9)3-1/h1-6H,7H2
InChIKeyOLRIRHKFQLSJTO-UHFFFAOYSA-N
XLogP2.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-2,3-benzodiazepine?
The IUPAC name of 1H-2,3-benzodiazepine (CID 12663273) is 1H-2,3-benzodiazepine.
What is the SMILES notation for 1H-2,3-benzodiazepine?
The canonical SMILES for 1H-2,3-benzodiazepine is C1=Cc2ccccc2CN=N1.
What is the InChIKey of 1H-2,3-benzodiazepine?
The InChIKey is OLRIRHKFQLSJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-4-9-7-11-10-6-5-8(9)3-1/h1-6H,7H2.
What are the key properties of 1H-2,3-benzodiazepine?
1H-2,3-benzodiazepine has a molecular weight of 144.18 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-2,3-benzodiazepine is sourced from PubChem (CID 12663273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).