N,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide

C19H16N6O — CID 71851140

IUPACN,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nnn2C)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C19H16N6O/c1-24(18-11-9-15(20-22-18)13-6-4-3-5-7-13)19(26)14-8-10-17-16(12-14)21-23-25(17)2/h3-12H,1-2H3
InChIKeyZJXJDZPZJNVFJI-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.70
Rot. Bonds3

About N,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide

N,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide (PubChem CID 71851140) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is N,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide
PubChem CID71851140
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC NameN,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nnn2C)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C19H16N6O/c1-24(18-11-9-15(20-22-18)13-6-4-3-5-7-13)19(26)14-8-10-17-16(12-14)21-23-25(17)2/h3-12H,1-2H3
InChIKeyZJXJDZPZJNVFJI-UHFFFAOYSA-N
XLogP2.70
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide 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 N,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide?
The IUPAC name of N,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide (CID 71851140) is N,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide?
The canonical SMILES for N,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide is CN(C(=O)c1ccc2c(c1)nnn2C)c1ccc(-c2ccccc2)nn1.
What is the InChIKey of N,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide?
The InChIKey is ZJXJDZPZJNVFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-24(18-11-9-15(20-22-18)13-6-4-3-5-7-13)19(26)14-8-10-17-16(12-14)21-23-25(17)2/h3-12H,1-2H3.
What are the key properties of N,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide?
N,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide is sourced from PubChem (CID 71851140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).