2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide

C13H17N5O — CID 114777919

IUPAC2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide
SMILESCCc1cccc(-n2cc(CNC(=O)CN)nn2)c1
InChIInChI=1S/C13H17N5O/c1-2-10-4-3-5-12(6-10)18-9-11(16-17-18)8-15-13(19)7-14/h3-6,9H,2,7-8,14H2,1H3,(H,15,19)
InChIKeyVTLMVVHJNPFCHO-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.40
Rot. Bonds5

About 2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide

2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide (PubChem CID 114777919) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide
PubChem CID114777919
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide
SMILESCCc1cccc(-n2cc(CNC(=O)CN)nn2)c1
InChIInChI=1S/C13H17N5O/c1-2-10-4-3-5-12(6-10)18-9-11(16-17-18)8-15-13(19)7-14/h3-6,9H,2,7-8,14H2,1H3,(H,15,19)
InChIKeyVTLMVVHJNPFCHO-UHFFFAOYSA-N
XLogP0.40
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethylphenyl)triazole-4-carbohydrazide
CID 112708382
2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide
CID 114778051
2-amino-N-[[1-(3-chloro-2-methylphenyl)triazol-4-yl]methyl]acetamide
CID 114777897
2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide
CID 114254952
N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide
CID 155944475
2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide
CID 103481334
2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide
CID 114778064
2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide
CID 114778017
2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide
CID 114778162
methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazol-1-yl]benzoate
CID 178054633
1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol
CID 113482605
3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide
CID 121197902

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide (CID 114777919) is 2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide is CCc1cccc(-n2cc(CNC(=O)CN)nn2)c1.
What is the InChIKey of 2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide?
The InChIKey is VTLMVVHJNPFCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-10-4-3-5-12(6-10)18-9-11(16-17-18)8-15-13(19)7-14/h3-6,9H,2,7-8,14H2,1H3,(H,15,19).
What are the key properties of 2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114777919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).