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

C11H8N4 — CID 15731448

IUPAC5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2ccn3ncnc3n2)cc1
InChIInChI=1S/C11H8N4/c1-2-4-9(5-3-1)10-6-7-15-11(14-10)12-8-13-15/h1-8H
InChIKeyMFOQUKZDRUEWGE-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.79
Rot. Bonds1

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

5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 15731448) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID15731448
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2ccn3ncnc3n2)cc1
InChIInChI=1S/C11H8N4/c1-2-4-9(5-3-1)10-6-7-15-11(14-10)12-8-13-15/h1-8H
InChIKeyMFOQUKZDRUEWGE-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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Related Compounds

Zaleplon
CID 5719
4-Phenylpyrimidine
CID 18923
2-Amino-4-phenylpyrimidine
CID 598777
R121919
CID 9821250
(R)-Zinc-3573
CID 95882507
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
Pyrazolo[1,5-b]pyridazine deriv. 20
CID 6539362
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 15731448) is 5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is c1ccc(-c2ccn3ncnc3n2)cc1.
What is the InChIKey of 5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MFOQUKZDRUEWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c1-2-4-9(5-3-1)10-6-7-15-11(14-10)12-8-13-15/h1-8H.
What are the key properties of 5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-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 5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15731448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).