7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

C12H7N5 — CID 902114

IUPAC7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2ncnn2c1-c1ccccc1
InChIInChI=1S/C12H7N5/c13-6-10-7-14-12-15-8-16-17(12)11(10)9-4-2-1-3-5-9/h1-5,7-8H
InChIKeyAXOCENNAUYHNGF-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.66
Rot. Bonds1

About 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 902114) has the molecular formula C12H7N5 and a molecular weight of 221.22 g/mol. Its IUPAC name is 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID902114
Molecular FormulaC12H7N5
Molecular Weight221.22 g/mol
Exact Mass221.07
IUPAC Name7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2ncnn2c1-c1ccccc1
InChIInChI=1S/C12H7N5/c13-6-10-7-14-12-15-8-16-17(12)11(10)9-4-2-1-3-5-9/h1-5,7-8H
InChIKeyAXOCENNAUYHNGF-UHFFFAOYSA-N
XLogP1.66
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (CID 902114) is 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is N#Cc1cnc2ncnn2c1-c1ccccc1.
What is the InChIKey of 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is AXOCENNAUYHNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5/c13-6-10-7-14-12-15-8-16-17(12)11(10)9-4-2-1-3-5-9/h1-5,7-8H.
What are the key properties of 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 221.22 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 902114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).