1-methyl-N-(4-methylphenyl)benzotriazole-5-carboxamide

C15H14N4O — CID 900757

IUPAC1-methyl-N-(4-methylphenyl)benzotriazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)nnn3C)cc1
InChIInChI=1S/C15H14N4O/c1-10-3-6-12(7-4-10)16-15(20)11-5-8-14-13(9-11)17-18-19(14)2/h3-9H,1-2H3,(H,16,20)
InChIKeyZVRZRNSIBGGBMH-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.53
Rot. Bonds2

About 1-methyl-N-(4-methylphenyl)benzotriazole-5-carboxamide

1-methyl-N-(4-methylphenyl)benzotriazole-5-carboxamide (PubChem CID 900757) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-methyl-N-(4-methylphenyl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methylphenyl)benzotriazole-5-carboxamide
PubChem CID900757
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-methyl-N-(4-methylphenyl)benzotriazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)nnn3C)cc1
InChIInChI=1S/C15H14N4O/c1-10-3-6-12(7-4-10)16-15(20)11-5-8-14-13(9-11)17-18-19(14)2/h3-9H,1-2H3,(H,16,20)
InChIKeyZVRZRNSIBGGBMH-UHFFFAOYSA-N
XLogP2.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylphenyl)benzotriazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(4-methylphenyl)benzotriazole-5-carboxamide (CID 900757) is 1-methyl-N-(4-methylphenyl)benzotriazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methylphenyl)benzotriazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methylphenyl)benzotriazole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)nnn3C)cc1.
What is the InChIKey of 1-methyl-N-(4-methylphenyl)benzotriazole-5-carboxamide?
The InChIKey is ZVRZRNSIBGGBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-3-6-12(7-4-10)16-15(20)11-5-8-14-13(9-11)17-18-19(14)2/h3-9H,1-2H3,(H,16,20).
What are the key properties of 1-methyl-N-(4-methylphenyl)benzotriazole-5-carboxamide?
1-methyl-N-(4-methylphenyl)benzotriazole-5-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylphenyl)benzotriazole-5-carboxamide is sourced from PubChem (CID 900757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).