N-(4-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H12ClN5 — CID 2815992

IUPACN-(4-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESClc1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)cc1
InChIInChI=1S/C17H12ClN5/c18-13-6-8-14(9-7-13)21-16-10-15(12-4-2-1-3-5-12)22-17-19-11-20-23(16)17/h1-11,21H
InChIKeyVVSODZPIACIUMO-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.19
Rot. Bonds3

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

N-(4-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 2815992) has the molecular formula C17H12ClN5 and a molecular weight of 321.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID2815992
Molecular FormulaC17H12ClN5
Molecular Weight321.77 g/mol
Exact Mass321.08
IUPAC NameN-(4-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESClc1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)cc1
InChIInChI=1S/C17H12ClN5/c18-13-6-8-14(9-7-13)21-16-10-15(12-4-2-1-3-5-12)22-17-19-11-20-23(16)17/h1-11,21H
InChIKeyVVSODZPIACIUMO-UHFFFAOYSA-N
XLogP4.19
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(4-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 2815992) is N-(4-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(4-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(4-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Clc1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VVSODZPIACIUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5/c18-13-6-8-14(9-7-13)21-16-10-15(12-4-2-1-3-5-12)22-17-19-11-20-23(16)17/h1-11,21H.
What are the key properties of N-(4-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(4-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 321.77 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 2815992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).