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

C18H14N4 — CID 625431

IUPAC2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C18H14N4/c1-13-19-18-20-16(14-8-4-2-5-9-14)12-17(22(18)21-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyAMOUXUIXXQFHJR-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.77
Rot. Bonds2

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

2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 625431) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID625431
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C18H14N4/c1-13-19-18-20-16(14-8-4-2-5-9-14)12-17(22(18)21-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyAMOUXUIXXQFHJR-UHFFFAOYSA-N
XLogP3.77
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
CID 107950
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-(1,1-dimethylethyl)-3-phenyl-
CID 10492061
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
3MB-PP1
CID 24865390
N-(4-butylphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 16030702
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
1-Methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 399097
4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 821854
2-(Methylthio)-7-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 2819177
5,7-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2834454

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 625431) is 2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1.
What is the InChIKey of 2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is AMOUXUIXXQFHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-13-19-18-20-16(14-8-4-2-5-9-14)12-17(22(18)21-13)15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of 2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 286.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 625431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).