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

C18H24N8 — CID 90025798

IUPAC2-[2-(1-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3nc(N4CCCC4)n(C4CC4)n3)nc12
InChIInChI=1S/C18H24N8/c1-12-11-19-13(2)17-20-15(22-25(12)17)7-8-16-21-18(24-9-3-4-10-24)26(23-16)14-5-6-14/h11,14H,3-10H2,1-2H3
InChIKeyKGMRTXQASTWZKR-UHFFFAOYSA-N
MW352.45 g/mol
LogP2.05
Rot. Bonds5

About 2-[2-(1-cyclopropyl-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-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 90025798) has the molecular formula C18H24N8 and a molecular weight of 352.45 g/mol. Its IUPAC name is 2-[2-(1-cyclopropyl-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-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID90025798
Molecular FormulaC18H24N8
Molecular Weight352.45 g/mol
Exact Mass352.21
IUPAC Name2-[2-(1-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(CCc3nc(N4CCCC4)n(C4CC4)n3)nc12
InChIInChI=1S/C18H24N8/c1-12-11-19-13(2)17-20-15(22-25(12)17)7-8-16-21-18(24-9-3-4-10-24)26(23-16)14-5-6-14/h11,14H,3-10H2,1-2H3
InChIKeyKGMRTXQASTWZKR-UHFFFAOYSA-N
XLogP2.05
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-cyclopropyl-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-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 90025798) is 2-[2-(1-cyclopropyl-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-cyclopropyl-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-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(CCc3nc(N4CCCC4)n(C4CC4)n3)nc12.
What is the InChIKey of 2-[2-(1-cyclopropyl-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 KGMRTXQASTWZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8/c1-12-11-19-13(2)17-20-15(22-25(12)17)7-8-16-21-18(24-9-3-4-10-24)26(23-16)14-5-6-14/h11,14H,3-10H2,1-2H3.
What are the key properties of 2-[2-(1-cyclopropyl-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-cyclopropyl-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 352.45 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyclopropyl-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 90025798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).