8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide

C13H12ClN5O2 — CID 71008767

IUPAC8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide
SMILESCN1Cc2c(C(=O)NN)ncn2-c2ccc(Cl)cc2C1=O
InChIInChI=1S/C13H12ClN5O2/c1-18-5-10-11(12(20)17-15)16-6-19(10)9-3-2-7(14)4-8(9)13(18)21/h2-4,6H,5,15H2,1H3,(H,17,20)
InChIKeyYTJCMHKCGBREPM-UHFFFAOYSA-N
MW305.73 g/mol
LogP0.71
Rot. Bonds1

About 8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide

8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide (PubChem CID 71008767) has the molecular formula C13H12ClN5O2 and a molecular weight of 305.73 g/mol. Its IUPAC name is 8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide.

Molecular Properties

Compound Name8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide
PubChem CID71008767
Molecular FormulaC13H12ClN5O2
Molecular Weight305.73 g/mol
Exact Mass305.07
IUPAC Name8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide
SMILESCN1Cc2c(C(=O)NN)ncn2-c2ccc(Cl)cc2C1=O
InChIInChI=1S/C13H12ClN5O2/c1-18-5-10-11(12(20)17-15)16-6-19(10)9-3-2-7(14)4-8(9)13(18)21/h2-4,6H,5,15H2,1H3,(H,17,20)
InChIKeyYTJCMHKCGBREPM-UHFFFAOYSA-N
XLogP0.71
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide?
The IUPAC name of 8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide (CID 71008767) is 8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide.
What is the SMILES notation for 8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide?
The canonical SMILES for 8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide is CN1Cc2c(C(=O)NN)ncn2-c2ccc(Cl)cc2C1=O.
What is the InChIKey of 8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide?
The InChIKey is YTJCMHKCGBREPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O2/c1-18-5-10-11(12(20)17-15)16-6-19(10)9-3-2-7(14)4-8(9)13(18)21/h2-4,6H,5,15H2,1H3,(H,17,20).
What are the key properties of 8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide?
8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide has a molecular weight of 305.73 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide is sourced from PubChem (CID 71008767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).