N-methyl-N-phenylbenzotriazole-1-carboxamide

C14H12N4O — CID 887067

IUPACN-methyl-N-phenylbenzotriazole-1-carboxamide
SMILESCN(C(=O)n1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C14H12N4O/c1-17(11-7-3-2-4-8-11)14(19)18-13-10-6-5-9-12(13)15-16-18/h2-10H,1H3
InChIKeyXIKOHXZWEOZSKC-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.54
Rot. Bonds1

About N-methyl-N-phenylbenzotriazole-1-carboxamide

N-methyl-N-phenylbenzotriazole-1-carboxamide (PubChem CID 887067) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-methyl-N-phenylbenzotriazole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenylbenzotriazole-1-carboxamide
PubChem CID887067
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-methyl-N-phenylbenzotriazole-1-carboxamide
SMILESCN(C(=O)n1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C14H12N4O/c1-17(11-7-3-2-4-8-11)14(19)18-13-10-6-5-9-12(13)15-16-18/h2-10H,1H3
InChIKeyXIKOHXZWEOZSKC-UHFFFAOYSA-N
XLogP2.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-Acetylbenzotriazole
CID 87784
(1H-1,2,3-Benzotriazol-1-ylmethyl)dimethylamine
CID 825297
(4-Benzhydryl-piperazin-1-yl)-benzotriazol-1-yl-methanone
CID 71453311
1-(morpholine-4-carbonyl)-1H-1,2,3-benzotriazole
CID 735660
Benzotriazol-1-yl-(4-benzylpiperidin-1-yl)methanone
CID 17989764
Benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone
CID 46831765
N-hexylbenzotriazole-1-carboxamide
CID 58271110
(1H-benzo(d)(1,2,3)triazol-1-yl)(4-benzylpiperazin-1-yl)methanone
CID 66683014
Benzotriazol-1-yl-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 66683053
N-(4-phenylbutyl)-1H-benzo[d][1,2,3]triazole-1-carboxamide
CID 86663116
1-(Benzotriazol-1-ylmethyl)benzotriazole
CID 279626
1-(Pyrrolidin-1-ylmethyl)benzotriazole
CID 29502

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylbenzotriazole-1-carboxamide?
The IUPAC name of N-methyl-N-phenylbenzotriazole-1-carboxamide (CID 887067) is N-methyl-N-phenylbenzotriazole-1-carboxamide.
What is the SMILES notation for N-methyl-N-phenylbenzotriazole-1-carboxamide?
The canonical SMILES for N-methyl-N-phenylbenzotriazole-1-carboxamide is CN(C(=O)n1nnc2ccccc21)c1ccccc1.
What is the InChIKey of N-methyl-N-phenylbenzotriazole-1-carboxamide?
The InChIKey is XIKOHXZWEOZSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-17(11-7-3-2-4-8-11)14(19)18-13-10-6-5-9-12(13)15-16-18/h2-10H,1H3.
What are the key properties of N-methyl-N-phenylbenzotriazole-1-carboxamide?
N-methyl-N-phenylbenzotriazole-1-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylbenzotriazole-1-carboxamide is sourced from PubChem (CID 887067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).