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

C11H13N5O2 — CID 60911192

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc(N)n2)cc1
InChIInChI=1S/C11H13N5O2/c1-18-9-4-2-8(3-5-9)14-10(17)6-16-7-13-11(12)15-16/h2-5,7H,6H2,1H3,(H2,12,15)(H,14,17)
InChIKeyCVELDQNCLAQBPS-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.51
Rot. Bonds4

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

2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 60911192) 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-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID60911192
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc(N)n2)cc1
InChIInChI=1S/C11H13N5O2/c1-18-9-4-2-8(3-5-9)14-10(17)6-16-7-13-11(12)15-16/h2-5,7H,6H2,1H3,(H2,12,15)(H,14,17)
InChIKeyCVELDQNCLAQBPS-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-(3-methoxyphenyl)acetamide
CID 60911842
2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide
CID 60911455
2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 55024845
2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 66195635
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-iodo-4-methylphenyl)acetamide
CID 114256852
2-(3-tert-butylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122142305
2-(3-amino-1,2,4-triazol-1-yl)-N-thiophen-3-ylacetamide
CID 66352507
N-(4-methoxyphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679434
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 54901711
N-(4-methoxyphenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 55028374
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 80742697
2-[1-[2-(4-methoxyanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461336

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide (CID 60911192) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2cnc(N)n2)cc1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is CVELDQNCLAQBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-18-9-4-2-8(3-5-9)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-(4-methoxyphenyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(4-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-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 60911192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).