4H-2,3-benzodiazepine

C9H8N2 — CID 54545031

IUPAC4H-2,3-benzodiazepine
SMILESC1=c2ccccc2=CN=NC1
InChIInChI=1S/C9H8N2/c1-2-4-9-7-11-10-6-5-8(9)3-1/h1-5,7H,6H2
InChIKeyZFXPWCVUAFZYGC-UHFFFAOYSA-N
MW144.18 g/mol
LogP0.67
Rot. Bonds

About 4H-2,3-benzodiazepine

4H-2,3-benzodiazepine (PubChem CID 54545031) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 4H-2,3-benzodiazepine.

Molecular Properties

Compound Name4H-2,3-benzodiazepine
PubChem CID54545031
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name4H-2,3-benzodiazepine
SMILESC1=c2ccccc2=CN=NC1
InChIInChI=1S/C9H8N2/c1-2-4-9-7-11-10-6-5-8(9)3-1/h1-5,7H,6H2
InChIKeyZFXPWCVUAFZYGC-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Bis-(diazomethyl)benzene
CID 85815303
2,3-Benzodiazepine-4-thione
CID 88089334
5-(Azidomethylidene)-2-fluorocyclohexa-1,3-diene
CID 141360897
5-(Azidomethylidene)-1-fluorocyclohexa-1,3-diene
CID 141360913
5-(Azidomethylidene)-6-fluorocyclohexa-1,3-diene
CID 141360915
8,9-dihydro-7H-2,3-benzodiazepine
CID 22119521
3,4-Diazabicyclo[4.2.2]deca-1,3,5,7,9-pentaene
CID 23640502
1-Azido-4-ethylhexa-2,4-diene
CID 53751639
2-(Azidomethyl)cyclohexa-1,3-diene
CID 54386531
6-methyl-3H-diazepine
CID 68092515
6,7-dihydro-5H-1,2-benzodiazepine
CID 69395145
CID 71358921
CID 71358921

Frequently Asked Questions

What is the IUPAC name of 4H-2,3-benzodiazepine?
The IUPAC name of 4H-2,3-benzodiazepine (CID 54545031) is 4H-2,3-benzodiazepine.
What is the SMILES notation for 4H-2,3-benzodiazepine?
The canonical SMILES for 4H-2,3-benzodiazepine is C1=c2ccccc2=CN=NC1.
What is the InChIKey of 4H-2,3-benzodiazepine?
The InChIKey is ZFXPWCVUAFZYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-4-9-7-11-10-6-5-8(9)3-1/h1-5,7H,6H2.
What are the key properties of 4H-2,3-benzodiazepine?
4H-2,3-benzodiazepine has a molecular weight of 144.18 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-2,3-benzodiazepine is sourced from PubChem (CID 54545031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).