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

C15H14N4O2 — CID 103200385

IUPACmethyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCc1ccc(-c2ccnc3nc(C(=O)OC)nn23)cc1
InChIInChI=1S/C15H14N4O2/c1-3-10-4-6-11(7-5-10)12-8-9-16-15-17-13(14(20)21-2)18-19(12)15/h4-9H,3H2,1-2H3
InChIKeyPTFXZATTXOPPMW-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.14
Rot. Bonds3

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

methyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 103200385) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID103200385
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Namemethyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCc1ccc(-c2ccnc3nc(C(=O)OC)nn23)cc1
InChIInChI=1S/C15H14N4O2/c1-3-10-4-6-11(7-5-10)12-8-9-16-15-17-13(14(20)21-2)18-19(12)15/h4-9H,3H2,1-2H3
InChIKeyPTFXZATTXOPPMW-UHFFFAOYSA-N
XLogP2.14
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (CID 103200385) is methyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is CCc1ccc(-c2ccnc3nc(C(=O)OC)nn23)cc1.
What is the InChIKey of methyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is PTFXZATTXOPPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-3-10-4-6-11(7-5-10)12-8-9-16-15-17-13(14(20)21-2)18-19(12)15/h4-9H,3H2,1-2H3.
What are the key properties of methyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
methyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 103200385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).