2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide

C16H13N7O — CID 134062871

IUPAC2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1ccccc1-n1cncn1
InChIInChI=1S/C16H13N7O/c24-16(9-22-15-8-4-2-6-13(15)20-21-22)19-12-5-1-3-7-14(12)23-11-17-10-18-23/h1-8,10-11H,9H2,(H,19,24)
InChIKeyMJGKQJKZLLHEIA-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.65
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide

2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide (PubChem CID 134062871) has the molecular formula C16H13N7O and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
PubChem CID134062871
Molecular FormulaC16H13N7O
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1ccccc1-n1cncn1
InChIInChI=1S/C16H13N7O/c24-16(9-22-15-8-4-2-6-13(15)20-21-22)19-12-5-1-3-7-14(12)23-11-17-10-18-23/h1-8,10-11H,9H2,(H,19,24)
InChIKeyMJGKQJKZLLHEIA-UHFFFAOYSA-N
XLogP1.65
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 43699115
4-oxo-4-[2-(1,2,4-triazol-1-yl)anilino]butanoic acid
CID 54867933
2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]acetamide
CID 8978614
2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide
CID 60847131
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251
3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 60854707
phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate
CID 60755049
2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 856354
methyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342132
4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
CID 855546
2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 857306

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide (CID 134062871) is 2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide is O=C(Cn1nnc2ccccc21)Nc1ccccc1-n1cncn1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The InChIKey is MJGKQJKZLLHEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O/c24-16(9-22-15-8-4-2-6-13(15)20-21-22)19-12-5-1-3-7-14(12)23-11-17-10-18-23/h1-8,10-11H,9H2,(H,19,24).
What are the key properties of 2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide?
2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide has a molecular weight of 319.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 134062871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).