7-(4-chlorophenyl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C18H13ClN4O — CID 75465878

IUPAC7-(4-chlorophenyl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1nc2nccc(-c3ccc(Cl)cc3)n2n1
InChIInChI=1S/C18H13ClN4O/c1-24-16-5-3-2-4-14(16)17-21-18-20-11-10-15(23(18)22-17)12-6-8-13(19)9-7-12/h2-11H,1H3
InChIKeyATYPQNADFSVEKN-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.12
Rot. Bonds3

About 7-(4-chlorophenyl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-chlorophenyl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75465878) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75465878
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name7-(4-chlorophenyl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1nc2nccc(-c3ccc(Cl)cc3)n2n1
InChIInChI=1S/C18H13ClN4O/c1-24-16-5-3-2-4-14(16)17-21-18-20-11-10-15(23(18)22-17)12-6-8-13(19)9-7-12/h2-11H,1H3
InChIKeyATYPQNADFSVEKN-UHFFFAOYSA-N
XLogP4.12
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-chlorophenyl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75465878) is 7-(4-chlorophenyl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-chlorophenyl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-chlorophenyl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccccc1-c1nc2nccc(-c3ccc(Cl)cc3)n2n1.
What is the InChIKey of 7-(4-chlorophenyl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ATYPQNADFSVEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c1-24-16-5-3-2-4-14(16)17-21-18-20-11-10-15(23(18)22-17)12-6-8-13(19)9-7-12/h2-11H,1H3.
What are the key properties of 7-(4-chlorophenyl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-chlorophenyl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 336.78 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75465878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).