2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide

C12H15N5O3 — CID 112521529

IUPAC2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ncc(N)n2)cc1OC
InChIInChI=1S/C12H15N5O3/c1-19-9-4-3-8(5-10(9)20-2)15-12(18)7-17-14-6-11(13)16-17/h3-6H,7H2,1-2H3,(H2,13,16)(H,15,18)
InChIKeyYJDZDSYQUJQKGS-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.52
Rot. Bonds5

About 2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide

2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 112521529) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID112521529
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ncc(N)n2)cc1OC
InChIInChI=1S/C12H15N5O3/c1-19-9-4-3-8(5-10(9)20-2)15-12(18)7-17-14-6-11(13)16-17/h3-6H,7H2,1-2H3,(H2,13,16)(H,15,18)
InChIKeyYJDZDSYQUJQKGS-UHFFFAOYSA-N
XLogP0.52
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521547
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
2-(diethylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 11521836
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224542
2-(4-aminopiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 79322239
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686
3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 64684929
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 16909656
(3,4-dimethoxyphenyl)urea
CID 21197430
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1164675
ethyl 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241516

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide (CID 112521529) is 2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2ncc(N)n2)cc1OC.
What is the InChIKey of 2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is YJDZDSYQUJQKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-19-9-4-3-8(5-10(9)20-2)15-12(18)7-17-14-6-11(13)16-17/h3-6H,7H2,1-2H3,(H2,13,16)(H,15,18).
What are the key properties of 2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide?
2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 277.28 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 112521529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).