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

C16H24N8O — CID 165415254

IUPAC5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-(2-methoxyethyl)-N,2-dimethyl-1,2,4-triazol-3-amine
SMILESCOCCN(C)c1nc(CCc2nc3c(C)ncc(C)n3n2)nn1C
InChIInChI=1S/C16H24N8O/c1-11-10-17-12(2)15-18-13(21-24(11)15)6-7-14-19-16(23(4)20-14)22(3)8-9-25-5/h10H,6-9H2,1-5H3
InChIKeyPCPHMRFNLQKVRD-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.74
Rot. Bonds7

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

5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-(2-methoxyethyl)-N,2-dimethyl-1,2,4-triazol-3-amine (PubChem CID 165415254) has the molecular formula C16H24N8O and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-(2-methoxyethyl)-N,2-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-(2-methoxyethyl)-N,2-dimethyl-1,2,4-triazol-3-amine
PubChem CID165415254
Molecular FormulaC16H24N8O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC Name5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-(2-methoxyethyl)-N,2-dimethyl-1,2,4-triazol-3-amine
SMILESCOCCN(C)c1nc(CCc2nc3c(C)ncc(C)n3n2)nn1C
InChIInChI=1S/C16H24N8O/c1-11-10-17-12(2)15-18-13(21-24(11)15)6-7-14-19-16(23(4)20-14)22(3)8-9-25-5/h10H,6-9H2,1-5H3
InChIKeyPCPHMRFNLQKVRD-UHFFFAOYSA-N
XLogP0.74
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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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-(2-methoxyethyl)-N,2-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-(2-methoxyethyl)-N,2-dimethyl-1,2,4-triazol-3-amine (CID 165415254) is 5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-(2-methoxyethyl)-N,2-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-(2-methoxyethyl)-N,2-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-(2-methoxyethyl)-N,2-dimethyl-1,2,4-triazol-3-amine is COCCN(C)c1nc(CCc2nc3c(C)ncc(C)n3n2)nn1C.
What is the InChIKey of 5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-(2-methoxyethyl)-N,2-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is PCPHMRFNLQKVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N8O/c1-11-10-17-12(2)15-18-13(21-24(11)15)6-7-14-19-16(23(4)20-14)22(3)8-9-25-5/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-(2-methoxyethyl)-N,2-dimethyl-1,2,4-triazol-3-amine?
5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-(2-methoxyethyl)-N,2-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 344.42 g/mol, XLogP of 0.74, 7 rotatable bonds, 0 hydrogen bond donors, and 9 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-(2-methoxyethyl)-N,2-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 165415254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).