2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide

C12H15N5O — CID 112523866

IUPAC2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2cc(N)nn2)c1
InChIInChI=1S/C12H15N5O/c1-8-3-9(2)5-10(4-8)14-12(18)7-17-6-11(13)15-16-17/h3-6H,7,13H2,1-2H3,(H,14,18)
InChIKeyQDTQNKJFIUEVFS-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.12
Rot. Bonds3

About 2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide

2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 112523866) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide
PubChem CID112523866
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2cc(N)nn2)c1
InChIInChI=1S/C12H15N5O/c1-8-3-9(2)5-10(4-8)14-12(18)7-17-6-11(13)15-16-17/h3-6H,7,13H2,1-2H3,(H,14,18)
InChIKeyQDTQNKJFIUEVFS-UHFFFAOYSA-N
XLogP1.12
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 82201930
N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112523889
2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide
CID 165479292
2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide
CID 165480854
2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
CID 114419901
2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide
CID 112527109
2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46868049
2-[4-(aminomethyl)triazol-1-yl]-N-(4-bromo-3-methylphenyl)acetamide
CID 62054484
2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 112522674
2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide
CID 66215783
2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide
CID 82857864
2-[4-(aminomethyl)triazol-1-yl]-N-(4-bromo-2,6-dimethylphenyl)acetamide
CID 115458933

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide (CID 112523866) is 2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)Cn2cc(N)nn2)c1.
What is the InChIKey of 2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is QDTQNKJFIUEVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-3-9(2)5-10(4-8)14-12(18)7-17-6-11(13)15-16-17/h3-6H,7,13H2,1-2H3,(H,14,18).
What are the key properties of 2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide?
2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 245.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 112523866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).