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

C15H22N8 — CID 90017228

IUPAC5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-N,1-dimethyl-1,2,4-triazol-3-amine
SMILESCCN(C)c1nc(CCc2nc3c(C)ncc(C)n3n2)n(C)n1
InChIInChI=1S/C15H22N8/c1-6-21(4)15-18-13(22(5)20-15)8-7-12-17-14-11(3)16-9-10(2)23(14)19-12/h9H,6-8H2,1-5H3
InChIKeyCRSBANANINENBF-UHFFFAOYSA-N
MW314.40 g/mol
LogP1.11
Rot. Bonds5

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

5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-N,1-dimethyl-1,2,4-triazol-3-amine (PubChem CID 90017228) has the molecular formula C15H22N8 and a molecular weight of 314.40 g/mol. Its IUPAC name is 5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-N,1-dimethyl-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-ethyl-N,1-dimethyl-1,2,4-triazol-3-amine
PubChem CID90017228
Molecular FormulaC15H22N8
Molecular Weight314.40 g/mol
Exact Mass314.20
IUPAC Name5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-N,1-dimethyl-1,2,4-triazol-3-amine
SMILESCCN(C)c1nc(CCc2nc3c(C)ncc(C)n3n2)n(C)n1
InChIInChI=1S/C15H22N8/c1-6-21(4)15-18-13(22(5)20-15)8-7-12-17-14-11(3)16-9-10(2)23(14)19-12/h9H,6-8H2,1-5H3
InChIKeyCRSBANANINENBF-UHFFFAOYSA-N
XLogP1.11
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5,8-Dimethyl-2-[2-[2-methyl-5-(3-methylazetidin-1-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 72703087
2-[2-[5-(3,3-Difluoroazetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 72703088
5,8-dimethyl-2-[2-[2-methyl-5-[(2S)-2-methylpyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 72703291
5,8-dimethyl-2-[2-[2-methyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 72703512
5,8-Dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 72704531
2-[2-[5-(3-Fluoroazetidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 72704897
5,6,8-Trimethyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 72704899
(4S)-5,8-dimethyl-2-{2-[1-methyl-3-(piperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine
CID 72705091
5,8-dimethyl-2-{2-[2-methyl-5-(2-methyl-pyrrolidin-1-yl)-2H-[1,2,4]triazol-3-yl]-ethyl}-[1,2,4]triazolo[1,5-a]pyrazine
CID 72705093
{5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-ethyl]-1-methyl-1H-[1,2,4]triazol-3-yl}-diethyl-amine
CID 72705286
5,8-dimethyl-2-[2-[2-methyl-5-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 90016428
N-cyclopropyl-5-(2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl)-N,1-dimethyl-1H-1,2,4-triazol-3-amine
CID 90016837

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-ethyl-N,1-dimethyl-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-ethyl-N,1-dimethyl-1,2,4-triazol-3-amine (CID 90017228) is 5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-N,1-dimethyl-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-ethyl-N,1-dimethyl-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-ethyl-N,1-dimethyl-1,2,4-triazol-3-amine is CCN(C)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-ethyl-N,1-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is CRSBANANINENBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8/c1-6-21(4)15-18-13(22(5)20-15)8-7-12-17-14-11(3)16-9-10(2)23(14)19-12/h9H,6-8H2,1-5H3.
What are the key properties of 5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-N,1-dimethyl-1,2,4-triazol-3-amine?
5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-ethyl-N,1-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 314.40 g/mol, XLogP of 1.11, 5 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-ethyl-N,1-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 90017228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).