(2,4-dimethylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

C15H14N4O2 — CID 26905046

IUPAC(2,4-dimethylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCc1ccc(OC(=O)c2nc3nccc(C)n3n2)c(C)c1
InChIInChI=1S/C15H14N4O2/c1-9-4-5-12(10(2)8-9)21-14(20)13-17-15-16-7-6-11(3)19(15)18-13/h4-8H,1-3H3
InChIKeyYAUIQYTYBYZYTE-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.27
Rot. Bonds2

About (2,4-dimethylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

(2,4-dimethylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 26905046) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2,4-dimethylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Name(2,4-dimethylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID26905046
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name(2,4-dimethylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCc1ccc(OC(=O)c2nc3nccc(C)n3n2)c(C)c1
InChIInChI=1S/C15H14N4O2/c1-9-4-5-12(10(2)8-9)21-14(20)13-17-15-16-7-6-11(3)19(15)18-13/h4-8H,1-3H3
InChIKeyYAUIQYTYBYZYTE-UHFFFAOYSA-N
XLogP2.27
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,4-dimethylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate 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

(2,4-dimethylphenyl) 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 31303371
(4-propoxyphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 26197496
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 8661797
cyanomethyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 29169569
N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47143299
[(2S)-1-methoxy-1-oxopropan-2-yl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 40815135
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 35839797
(5-acetyl-2-methoxyphenyl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 8661814
2-(4-methoxyphenyl)ethyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 42976309
1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351150
(2S)-3-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid
CID 61173085
methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate
CID 43409090

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of (2,4-dimethylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (CID 26905046) is (2,4-dimethylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for (2,4-dimethylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for (2,4-dimethylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is Cc1ccc(OC(=O)c2nc3nccc(C)n3n2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is YAUIQYTYBYZYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-4-5-12(10(2)8-9)21-14(20)13-17-15-16-7-6-11(3)19(15)18-13/h4-8H,1-3H3.
What are the key properties of (2,4-dimethylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
(2,4-dimethylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl) 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 26905046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).