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

C16H24N8 — CID 72705286

IUPAC5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N-diethyl-1-methyl-1,2,4-triazol-3-amine
SMILESCCN(CC)c1nc(CCc2nc3c(C)ncc(C)n3n2)n(C)n1
InChIInChI=1S/C16H24N8/c1-6-23(7-2)16-19-14(22(5)21-16)9-8-13-18-15-12(4)17-10-11(3)24(15)20-13/h10H,6-9H2,1-5H3
InChIKeyFMWWPUCQVQAFAU-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.50
Rot. Bonds6

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

5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N-diethyl-1-methyl-1,2,4-triazol-3-amine (PubChem CID 72705286) has the molecular formula C16H24N8 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N-diethyl-1-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N-diethyl-1-methyl-1,2,4-triazol-3-amine
PubChem CID72705286
Molecular FormulaC16H24N8
Molecular Weight328.42 g/mol
Exact Mass328.21
IUPAC Name5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N-diethyl-1-methyl-1,2,4-triazol-3-amine
SMILESCCN(CC)c1nc(CCc2nc3c(C)ncc(C)n3n2)n(C)n1
InChIInChI=1S/C16H24N8/c1-6-23(7-2)16-19-14(22(5)21-16)9-8-13-18-15-12(4)17-10-11(3)24(15)20-13/h10H,6-9H2,1-5H3
InChIKeyFMWWPUCQVQAFAU-UHFFFAOYSA-N
XLogP1.50
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N-diethyl-1-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N-diethyl-1-methyl-1,2,4-triazol-3-amine (CID 72705286) is 5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N-diethyl-1-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N-diethyl-1-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N-diethyl-1-methyl-1,2,4-triazol-3-amine is CCN(CC)c1nc(CCc2nc3c(C)ncc(C)n3n2)n(C)n1.
What is the InChIKey of 5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N-diethyl-1-methyl-1,2,4-triazol-3-amine?
The InChIKey is FMWWPUCQVQAFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N8/c1-6-23(7-2)16-19-14(22(5)21-16)9-8-13-18-15-12(4)17-10-11(3)24(15)20-13/h10H,6-9H2,1-5H3.
What are the key properties of 5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N-diethyl-1-methyl-1,2,4-triazol-3-amine?
5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N-diethyl-1-methyl-1,2,4-triazol-3-amine has a molecular weight of 328.42 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N-diethyl-1-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 72705286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).