N-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-1-methyl-1,2,4-triazol-3-amine

C17H24N8 — CID 90026082

IUPACN-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-1-methyl-1,2,4-triazol-3-amine
SMILESCCN(c1nc(CCc2nc3c(C)ncc(C)n3n2)n(C)n1)C1CC1
InChIInChI=1S/C17H24N8/c1-5-24(13-6-7-13)17-20-15(23(4)22-17)9-8-14-19-16-12(3)18-10-11(2)25(16)21-14/h10,13H,5-9H2,1-4H3
InChIKeyCEBLHBLICYYBLT-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.64
Rot. Bonds6

About N-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-1-methyl-1,2,4-triazol-3-amine

N-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-1-methyl-1,2,4-triazol-3-amine (PubChem CID 90026082) has the molecular formula C17H24N8 and a molecular weight of 340.44 g/mol. Its IUPAC name is N-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-1-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-1-methyl-1,2,4-triazol-3-amine
PubChem CID90026082
Molecular FormulaC17H24N8
Molecular Weight340.44 g/mol
Exact Mass340.21
IUPAC NameN-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-1-methyl-1,2,4-triazol-3-amine
SMILESCCN(c1nc(CCc2nc3c(C)ncc(C)n3n2)n(C)n1)C1CC1
InChIInChI=1S/C17H24N8/c1-5-24(13-6-7-13)17-20-15(23(4)22-17)9-8-14-19-16-12(3)18-10-11(2)25(16)21-14/h10,13H,5-9H2,1-4H3
InChIKeyCEBLHBLICYYBLT-UHFFFAOYSA-N
XLogP1.64
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-1-methyl-1,2,4-triazol-3-amine?
The IUPAC name of N-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-1-methyl-1,2,4-triazol-3-amine (CID 90026082) is N-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-1-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-1-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-1-methyl-1,2,4-triazol-3-amine is CCN(c1nc(CCc2nc3c(C)ncc(C)n3n2)n(C)n1)C1CC1.
What is the InChIKey of N-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-1-methyl-1,2,4-triazol-3-amine?
The InChIKey is CEBLHBLICYYBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8/c1-5-24(13-6-7-13)17-20-15(23(4)22-17)9-8-14-19-16-12(3)18-10-11(2)25(16)21-14/h10,13H,5-9H2,1-4H3.
What are the key properties of N-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-1-methyl-1,2,4-triazol-3-amine?
N-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-1-methyl-1,2,4-triazol-3-amine has a molecular weight of 340.44 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-1-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 90026082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).