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

C11H8N4 — CID 900930

IUPAC7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2ccnc3ncnn23)cc1
InChIInChI=1S/C11H8N4/c1-2-4-9(5-3-1)10-6-7-12-11-13-8-14-15(10)11/h1-8H
InChIKeyNJZKWMXLDGCTGY-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.79
Rot. Bonds1

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

7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 900930) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID900930
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2ccnc3ncnn23)cc1
InChIInChI=1S/C11H8N4/c1-2-4-9(5-3-1)10-6-7-12-11-13-8-14-15(10)11/h1-8H
InChIKeyNJZKWMXLDGCTGY-UHFFFAOYSA-N
XLogP1.79
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 900930) is 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is c1ccc(-c2ccnc3ncnn23)cc1.
What is the InChIKey of 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NJZKWMXLDGCTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c1-2-4-9(5-3-1)10-6-7-12-11-13-8-14-15(10)11/h1-8H.
What are the key properties of 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 196.21 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 900930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).