2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide

C11H13N5O2 — CID 60911842

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cnc(N)n2)c1
InChIInChI=1S/C11H13N5O2/c1-18-9-4-2-3-8(5-9)14-10(17)6-16-7-13-11(12)15-16/h2-5,7H,6H2,1H3,(H2,12,15)(H,14,17)
InChIKeyVHCPWZPKEUACII-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.51
Rot. Bonds4

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 60911842) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID60911842
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cnc(N)n2)c1
InChIInChI=1S/C11H13N5O2/c1-18-9-4-2-3-8(5-9)14-10(17)6-16-7-13-11(12)15-16/h2-5,7H,6H2,1H3,(H2,12,15)(H,14,17)
InChIKeyVHCPWZPKEUACII-UHFFFAOYSA-N
XLogP0.51
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 60911192
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 66214781
2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-(3-methoxyphenyl)acetamide
CID 58758762
2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 53201654
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 62223154
2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 22693446
cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
CID 6100941
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide (CID 60911842) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2cnc(N)n2)c1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is VHCPWZPKEUACII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-18-9-4-2-3-8(5-9)14-10(17)6-16-7-13-11(12)15-16/h2-5,7H,6H2,1H3,(H2,12,15)(H,14,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 247.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 60911842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).