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

C11H13N5O — CID 60911455

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc(N)n2)cc1
InChIInChI=1S/C11H13N5O/c1-8-2-4-9(5-3-8)14-10(17)6-16-7-13-11(12)15-16/h2-5,7H,6H2,1H3,(H2,12,15)(H,14,17)
InChIKeyITFLPAHJUJDUFH-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.81
Rot. Bonds3

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

2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide (PubChem CID 60911455) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide
PubChem CID60911455
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc(N)n2)cc1
InChIInChI=1S/C11H13N5O/c1-8-2-4-9(5-3-8)14-10(17)6-16-7-13-11(12)15-16/h2-5,7H,6H2,1H3,(H2,12,15)(H,14,17)
InChIKeyITFLPAHJUJDUFH-UHFFFAOYSA-N
XLogP0.81
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 60911192
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-iodo-4-methylphenyl)acetamide
CID 114256852
2-(3-amino-1,2,4-triazol-1-yl)-N-thiophen-3-ylacetamide
CID 66352507
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide
CID 113451838
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 54901711
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-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 61016205
2-(3-amino-1,2,4-triazol-1-yl)-N-(5-chloro-2-methylphenyl)acetamide
CID 54902129
2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-yl)acetamide
CID 61393349
N-(3,4-dimethylphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide
CID 9404002
2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide
CID 66215783
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide (CID 60911455) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cnc(N)n2)cc1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is ITFLPAHJUJDUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-8-2-4-9(5-3-8)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-methylphenyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 231.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 60911455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).