5,8-dimethyl-2-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C19H20N6 — CID 53250985

IUPAC5,8-dimethyl-2-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(C)n2nc(CCc3nc(-c4ccccc4)nn3C)nc12
InChIInChI=1S/C19H20N6/c1-13-9-10-14(2)25-19(13)20-16(22-25)11-12-17-21-18(23-24(17)3)15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3
InChIKeyFEPCYVIHIAQGEQ-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.93
Rot. Bonds4

About 5,8-dimethyl-2-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

5,8-dimethyl-2-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53250985) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 5,8-dimethyl-2-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5,8-dimethyl-2-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53250985
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name5,8-dimethyl-2-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(C)n2nc(CCc3nc(-c4ccccc4)nn3C)nc12
InChIInChI=1S/C19H20N6/c1-13-9-10-14(2)25-19(13)20-16(22-25)11-12-17-21-18(23-24(17)3)15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3
InChIKeyFEPCYVIHIAQGEQ-UHFFFAOYSA-N
XLogP2.93
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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R121919
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1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
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5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
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1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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6-chloro-5,8-dimethyl-2-[(E)-2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72194628
6-Chloro-5,8-dimethyl-2-[2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72704894
3,8-Dimethyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethynyl)-2-(trifluoro-methyl)imidazo[1,2-b]pyridazine
CID 75201366
6-Chloranyl-5,8-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)ethyl]-[1,2,4]triazolo[1,5-A]pyridine
CID 90033975

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5,8-dimethyl-2-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53250985) is 5,8-dimethyl-2-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5,8-dimethyl-2-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5,8-dimethyl-2-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(C)n2nc(CCc3nc(-c4ccccc4)nn3C)nc12.
What is the InChIKey of 5,8-dimethyl-2-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is FEPCYVIHIAQGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-13-9-10-14(2)25-19(13)20-16(22-25)11-12-17-21-18(23-24(17)3)15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3.
What are the key properties of 5,8-dimethyl-2-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
5,8-dimethyl-2-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 332.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53250985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).