6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine

C15H12N6 — CID 121496518

IUPAC6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCc1ccc(-c2cnc3nncn3c2)c(-n2cccn2)c1
InChIInChI=1S/C15H12N6/c1-11-3-4-13(14(7-11)21-6-2-5-18-21)12-8-16-15-19-17-10-20(15)9-12/h2-10H,1H3
InChIKeyPSSWWOXTRFENJH-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.29
Rot. Bonds2

About 6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine

6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 121496518) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID121496518
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCc1ccc(-c2cnc3nncn3c2)c(-n2cccn2)c1
InChIInChI=1S/C15H12N6/c1-11-3-4-13(14(7-11)21-6-2-5-18-21)12-8-16-15-19-17-10-20(15)9-12/h2-10H,1H3
InChIKeyPSSWWOXTRFENJH-UHFFFAOYSA-N
XLogP2.29
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methoxy-2-pyrazol-1-ylphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 121499082
5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine
CID 72868725
6-[3-(2-methylpyrazol-3-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine
CID 121495242
4-methyl-2-pyrazol-1-ylbenzamide
CID 63810394
1-(2-bromo-5-methylphenyl)pyrazole
CID 130121317
1-(2,4-dimethylphenyl)pyrazole
CID 13066329
4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 50976695
1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol
CID 72890659
2-ethyl-N,N-dimethyl-5-(4-methyl-2-pyrazol-1-ylphenyl)-1,2,4-triazol-3-amine
CID 72909461
1-[2-(bromomethyl)-4-methylphenyl]pyrazole
CID 106765702
bis((4-bromo-2-pyrazol-1-ylphenyl)-(4-methyl-2-pyrazol-1-ylphenyl)azanide);nickel(2+)
CID 139142452
4-methyl-2-(4-phenylpyrazol-1-yl)benzoic acid
CID 62770302

Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine (CID 121496518) is 6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine is Cc1ccc(-c2cnc3nncn3c2)c(-n2cccn2)c1.
What is the InChIKey of 6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is PSSWWOXTRFENJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c1-11-3-4-13(14(7-11)21-6-2-5-18-21)12-8-16-15-19-17-10-20(15)9-12/h2-10H,1H3.
What are the key properties of 6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 276.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 121496518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).