7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C19H15ClN4O2 — CID 1299515

IUPAC7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)n3ncnc3n2)cc1OC
InChIInChI=1S/C19H15ClN4O2/c1-25-17-8-5-13(9-18(17)26-2)15-10-16(12-3-6-14(20)7-4-12)24-19(23-15)21-11-22-24/h3-11H,1-2H3
InChIKeyXHFKDKYJWCUORT-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.13
Rot. Bonds4

About 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 1299515) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID1299515
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)n3ncnc3n2)cc1OC
InChIInChI=1S/C19H15ClN4O2/c1-25-17-8-5-13(9-18(17)26-2)15-10-16(12-3-6-14(20)7-4-12)24-19(23-15)21-11-22-24/h3-11H,1-2H3
InChIKeyXHFKDKYJWCUORT-UHFFFAOYSA-N
XLogP4.13
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 1299515) is 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(-c2cc(-c3ccc(Cl)cc3)n3ncnc3n2)cc1OC.
What is the InChIKey of 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XHFKDKYJWCUORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-25-17-8-5-13(9-18(17)26-2)15-10-16(12-3-6-14(20)7-4-12)24-19(23-15)21-11-22-24/h3-11H,1-2H3.
What are the key properties of 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 366.81 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1299515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).