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

C17H24N8 — CID 90026676

IUPAC2-[2-(1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCCn1nc(CCc2nc3c(C)ncc(C)n3n2)nc1N1CCCC1
InChIInChI=1S/C17H24N8/c1-4-24-17(23-9-5-6-10-23)20-15(21-24)8-7-14-19-16-13(3)18-11-12(2)25(16)22-14/h11H,4-10H2,1-3H3
InChIKeyCMQXXHNPKISLRF-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.74
Rot. Bonds5

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

2-[2-(1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 90026676) has the molecular formula C17H24N8 and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-[2-(1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[2-(1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID90026676
Molecular FormulaC17H24N8
Molecular Weight340.44 g/mol
Exact Mass340.21
IUPAC Name2-[2-(1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCCn1nc(CCc2nc3c(C)ncc(C)n3n2)nc1N1CCCC1
InChIInChI=1S/C17H24N8/c1-4-24-17(23-9-5-6-10-23)20-15(21-24)8-7-14-19-16-13(3)18-11-12(2)25(16)22-14/h11H,4-10H2,1-3H3
InChIKeyCMQXXHNPKISLRF-UHFFFAOYSA-N
XLogP1.74
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-(1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[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 2-[2-(1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[2-(1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 90026676) is 2-[2-(1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[2-(1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[2-(1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is CCn1nc(CCc2nc3c(C)ncc(C)n3n2)nc1N1CCCC1.
What is the InChIKey of 2-[2-(1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is CMQXXHNPKISLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8/c1-4-24-17(23-9-5-6-10-23)20-15(21-24)8-7-14-19-16-13(3)18-11-12(2)25(16)22-14/h11H,4-10H2,1-3H3.
What are the key properties of 2-[2-(1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[2-(1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 340.44 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 90026676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).