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

C17H11ClN4 — CID 56737952

IUPAC7-(2-chlorophenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccccc1-c1ccnc2nc(-c3ccccc3)nn12
InChIInChI=1S/C17H11ClN4/c18-14-9-5-4-8-13(14)15-10-11-19-17-20-16(21-22(15)17)12-6-2-1-3-7-12/h1-11H
InChIKeyPYUCRGAIDJQNIL-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.11
Rot. Bonds2

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

7-(2-chlorophenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 56737952) has the molecular formula C17H11ClN4 and a molecular weight of 306.76 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-chlorophenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID56737952
Molecular FormulaC17H11ClN4
Molecular Weight306.76 g/mol
Exact Mass306.07
IUPAC Name7-(2-chlorophenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccccc1-c1ccnc2nc(-c3ccccc3)nn12
InChIInChI=1S/C17H11ClN4/c18-14-9-5-4-8-13(14)15-10-11-19-17-20-16(21-22(15)17)12-6-2-1-3-7-12/h1-11H
InChIKeyPYUCRGAIDJQNIL-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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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-chlorophenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 56737952) is 7-(2-chlorophenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-chlorophenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-chlorophenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1ccccc1-c1ccnc2nc(-c3ccccc3)nn12.
What is the InChIKey of 7-(2-chlorophenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is PYUCRGAIDJQNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4/c18-14-9-5-4-8-13(14)15-10-11-19-17-20-16(21-22(15)17)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 7-(2-chlorophenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2-chlorophenyl)-2-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 7-(2-chlorophenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56737952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).