7,8-diphenyl-[1,2,4]triazolo[4,3-c]pyrimidine

C17H12N4 — CID 141275469

IUPAC7,8-diphenyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESc1ccc(-c2ncn3cnnc3c2-c2ccccc2)cc1
InChIInChI=1S/C17H12N4/c1-3-7-13(8-4-1)15-16(14-9-5-2-6-10-14)18-11-21-12-19-20-17(15)21/h1-12H
InChIKeyQTXHNIORIGKXMA-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.46
Rot. Bonds2

About 7,8-diphenyl-[1,2,4]triazolo[4,3-c]pyrimidine

7,8-diphenyl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 141275469) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 7,8-diphenyl-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7,8-diphenyl-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID141275469
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name7,8-diphenyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESc1ccc(-c2ncn3cnnc3c2-c2ccccc2)cc1
InChIInChI=1S/C17H12N4/c1-3-7-13(8-4-1)15-16(14-9-5-2-6-10-14)18-11-21-12-19-20-17(15)21/h1-12H
InChIKeyQTXHNIORIGKXMA-UHFFFAOYSA-N
XLogP3.46
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 57188674
5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carbonitrile
CID 142426975
4-methyl-3-phenyl-2-(4-phenylphenyl)pyridine
CID 71400331
8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 146266618
1-(4-imidazo[1,5-a]pyridin-1-ylphenyl)imidazo[1,5-a]pyridine
CID 4702100
7-phenyl-6-(1-phenylethenyl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 71483301
5-chloro-3,4-diphenylpyridazine
CID 70481559
1,5-dimethyl-3,4-diphenylpyrazole
CID 13146064
1-hydroxy-3,4,5-triphenylpyrazole
CID 67794200
8-bromo-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 172622293
4,5-diphenyltriazol-2-amine
CID 14173575
4,6-difluoro-5-phenylpyrimidine
CID 118840417

Frequently Asked Questions

What is the IUPAC name of 7,8-diphenyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7,8-diphenyl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 141275469) is 7,8-diphenyl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7,8-diphenyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7,8-diphenyl-[1,2,4]triazolo[4,3-c]pyrimidine is c1ccc(-c2ncn3cnnc3c2-c2ccccc2)cc1.
What is the InChIKey of 7,8-diphenyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is QTXHNIORIGKXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c1-3-7-13(8-4-1)15-16(14-9-5-2-6-10-14)18-11-21-12-19-20-17(15)21/h1-12H.
What are the key properties of 7,8-diphenyl-[1,2,4]triazolo[4,3-c]pyrimidine?
7,8-diphenyl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 272.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-diphenyl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 141275469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).