2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide

C12H12N4O2 — CID 66215783

IUPAC2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C=O)nn2)cc1
InChIInChI=1S/C12H12N4O2/c1-9-2-4-10(5-3-9)13-12(18)7-16-6-11(8-17)14-15-16/h2-6,8H,7H2,1H3,(H,13,18)
InChIKeyPZTHMDIGEVIJRV-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.04
Rot. Bonds4

About 2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide

2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide (PubChem CID 66215783) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide
PubChem CID66215783
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C=O)nn2)cc1
InChIInChI=1S/C12H12N4O2/c1-9-2-4-10(5-3-9)13-12(18)7-16-6-11(8-17)14-15-16/h2-6,8H,7H2,1H3,(H,13,18)
InChIKeyPZTHMDIGEVIJRV-UHFFFAOYSA-N
XLogP1.04
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66215979
2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 66214781
N-(3-bromophenyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66216003
N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521085
N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66194141
N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide
CID 66214589
2-[4-(4-methylphenyl)triazol-1-yl]-N-(4-nitrophenyl)acetamide
CID 138373950
2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 66214600
2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66215009
2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide
CID 60911455
N-[(4-fluoro-3-methylphenyl)methyl]-2-(4-formyltriazol-1-yl)acetamide
CID 66215194
2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 66213794

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide (CID 66215783) is 2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cc(C=O)nn2)cc1.
What is the InChIKey of 2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is PZTHMDIGEVIJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-9-2-4-10(5-3-9)13-12(18)7-16-6-11(8-17)14-15-16/h2-6,8H,7H2,1H3,(H,13,18).
What are the key properties of 2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide?
2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 244.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 66215783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).