1-methyl-2-oxo-4-pyridazin-4-yl-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid

C15H14N4O3 — CID 71284231

IUPAC1-methyl-2-oxo-4-pyridazin-4-yl-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid
SMILESCN1C(=O)CN(c2ccnnc2)Cc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H14N4O3/c1-18-13-6-10(15(21)22)2-3-11(13)8-19(9-14(18)20)12-4-5-16-17-7-12/h2-7H,8-9H2,1H3,(H,21,22)
InChIKeyNBZPNLDICCYESL-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.16
Rot. Bonds2

About 1-methyl-2-oxo-4-pyridazin-4-yl-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid

1-methyl-2-oxo-4-pyridazin-4-yl-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid (PubChem CID 71284231) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-methyl-2-oxo-4-pyridazin-4-yl-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-4-pyridazin-4-yl-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid
PubChem CID71284231
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name1-methyl-2-oxo-4-pyridazin-4-yl-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid
SMILESCN1C(=O)CN(c2ccnnc2)Cc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H14N4O3/c1-18-13-6-10(15(21)22)2-3-11(13)8-19(9-14(18)20)12-4-5-16-17-7-12/h2-7H,8-9H2,1H3,(H,21,22)
InChIKeyNBZPNLDICCYESL-UHFFFAOYSA-N
XLogP1.16
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-2-oxo-4-pyridazin-4-yl-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid 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 1-methyl-2-oxo-4-pyridazin-4-yl-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-4-pyridazin-4-yl-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid (CID 71284231) is 1-methyl-2-oxo-4-pyridazin-4-yl-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-4-pyridazin-4-yl-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-4-pyridazin-4-yl-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid is CN1C(=O)CN(c2ccnnc2)Cc2ccc(C(=O)O)cc21.
What is the InChIKey of 1-methyl-2-oxo-4-pyridazin-4-yl-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid?
The InChIKey is NBZPNLDICCYESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-18-13-6-10(15(21)22)2-3-11(13)8-19(9-14(18)20)12-4-5-16-17-7-12/h2-7H,8-9H2,1H3,(H,21,22).
What are the key properties of 1-methyl-2-oxo-4-pyridazin-4-yl-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid?
1-methyl-2-oxo-4-pyridazin-4-yl-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-4-pyridazin-4-yl-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid is sourced from PubChem (CID 71284231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).