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

C17H11ClN4 — CID 66498295

IUPAC2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccc(-c2nc3nccc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C17H11ClN4/c18-14-8-6-13(7-9-14)16-20-17-19-11-10-15(22(17)21-16)12-4-2-1-3-5-12/h1-11H
InChIKeyGDWATMPFJVKYGE-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.11
Rot. Bonds2

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

2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 66498295) has the molecular formula C17H11ClN4 and a molecular weight of 306.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID66498295
Molecular FormulaC17H11ClN4
Molecular Weight306.76 g/mol
Exact Mass306.07
IUPAC Name2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccc(-c2nc3nccc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C17H11ClN4/c18-14-8-6-13(7-9-14)16-20-17-19-11-10-15(22(17)21-16)12-4-2-1-3-5-12/h1-11H
InChIKeyGDWATMPFJVKYGE-UHFFFAOYSA-N
XLogP4.11
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497872
7-(2-chlorophenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56737952
7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497848
2-phenyl-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498307
7-[4-[(4-chlorophenyl)methoxy]phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498301
2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 30465384
2-(4-methoxyphenyl)-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498210
7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497840
7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498306
2-benzylsulfanyl-7-[4-[(4-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66491550
7-pyridin-2-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56763000
2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 47001682

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 66498295) is 2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1ccc(-c2nc3nccc(-c4ccccc4)n3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is GDWATMPFJVKYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4/c18-14-8-6-13(7-9-14)16-20-17-19-11-10-15(22(17)21-16)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 306.76 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66498295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).