N-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide

C10H11N5O — CID 3057114

IUPACN-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(N)n[nH]2)cc1
InChIInChI=1S/C10H11N5O/c1-6(16)12-8-4-2-7(3-5-8)9-13-10(11)15-14-9/h2-5H,1H3,(H,12,16)(H3,11,13,14,15)
InChIKeyIQSSSIISFULBIM-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.01
Rot. Bonds2

About N-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide

N-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide (PubChem CID 3057114) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide
PubChem CID3057114
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC NameN-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(N)n[nH]2)cc1
InChIInChI=1S/C10H11N5O/c1-6(16)12-8-4-2-7(3-5-8)9-13-10(11)15-14-9/h2-5H,1H3,(H,12,16)(H3,11,13,14,15)
InChIKeyIQSSSIISFULBIM-UHFFFAOYSA-N
XLogP1.01
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 44615693
5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride
CID 2858656
N-[4-(3-acetamido-1H-pyrazol-5-yl)phenyl]acetamide
CID 2268930
6-(4-acetamidophenyl)-2-aminopyridine-3-carboxamide
CID 175249163
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
N-[4-[6-amino-5-(1H-imidazol-2-yl)-2-pyridinyl]phenyl]acetamide
CID 141304304
methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate
CID 62808434
3-[[5-(4-acetamidophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid
CID 8708318
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
cis-(1R,3S)-2,2-dimethyl-3-[[4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 95391750
N-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]acetamide
CID 143593560
N-(4-methylphenyl)acetamide
CID 7684

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The IUPAC name of N-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide (CID 3057114) is N-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nc(N)n[nH]2)cc1.
What is the InChIKey of N-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The InChIKey is IQSSSIISFULBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-6(16)12-8-4-2-7(3-5-8)9-13-10(11)15-14-9/h2-5H,1H3,(H,12,16)(H3,11,13,14,15).
What are the key properties of N-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide?
N-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide has a molecular weight of 217.23 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 3057114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).