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

C15H17N9 — CID 165415248

IUPAC5,8-dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3nc(-n4cccn4)nn3C)nc12
InChIInChI=1S/C15H17N9/c1-10-9-16-11(2)14-18-12(20-24(10)14)5-6-13-19-15(21-22(13)3)23-8-4-7-17-23/h4,7-9H,5-6H2,1-3H3
InChIKeyRRBIVFFCGTVXJF-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.84
Rot. Bonds4

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

5,8-dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 165415248) has the molecular formula C15H17N9 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5,8-dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID165415248
Molecular FormulaC15H17N9
Molecular Weight323.36 g/mol
Exact Mass323.16
IUPAC Name5,8-dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3nc(-n4cccn4)nn3C)nc12
InChIInChI=1S/C15H17N9/c1-10-9-16-11(2)14-18-12(20-24(10)14)5-6-13-19-15(21-22(13)3)23-8-4-7-17-23/h4,7-9H,5-6H2,1-3H3
InChIKeyRRBIVFFCGTVXJF-UHFFFAOYSA-N
XLogP0.84
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5,8-dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 165415248) is 5,8-dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(CCc3nc(-n4cccn4)nn3C)nc12.
What is the InChIKey of 5,8-dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is RRBIVFFCGTVXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N9/c1-10-9-16-11(2)14-18-12(20-24(10)14)5-6-13-19-15(21-22(13)3)23-8-4-7-17-23/h4,7-9H,5-6H2,1-3H3.
What are the key properties of 5,8-dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 323.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 165415248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).