[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-ethylcyclopentyl]methanamine

C13H23N5 — CID 64574765

IUPAC[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-ethylcyclopentyl]methanamine
SMILESCCC1CCC(CN)(N2CCn3cnnc3C2)C1
InChIInChI=1S/C13H23N5/c1-2-11-3-4-13(7-11,9-14)18-6-5-17-10-15-16-12(17)8-18/h10-11H,2-9,14H2,1H3
InChIKeyXPELSJFQGWCYRZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.00
Rot. Bonds3

About [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-ethylcyclopentyl]methanamine

[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-ethylcyclopentyl]methanamine (PubChem CID 64574765) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-ethylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-ethylcyclopentyl]methanamine
PubChem CID64574765
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-ethylcyclopentyl]methanamine
SMILESCCC1CCC(CN)(N2CCn3cnnc3C2)C1
InChIInChI=1S/C13H23N5/c1-2-11-3-4-13(7-11,9-14)18-6-5-17-10-15-16-12(17)8-18/h10-11H,2-9,14H2,1H3
InChIKeyXPELSJFQGWCYRZ-UHFFFAOYSA-N
XLogP1.00
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-ethylcyclopentyl]methanamine?
The IUPAC name of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-ethylcyclopentyl]methanamine (CID 64574765) is [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-ethylcyclopentyl]methanamine.
What is the SMILES notation for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-ethylcyclopentyl]methanamine?
The canonical SMILES for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-ethylcyclopentyl]methanamine is CCC1CCC(CN)(N2CCn3cnnc3C2)C1.
What is the InChIKey of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-ethylcyclopentyl]methanamine?
The InChIKey is XPELSJFQGWCYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-2-11-3-4-13(7-11,9-14)18-6-5-17-10-15-16-12(17)8-18/h10-11H,2-9,14H2,1H3.
What are the key properties of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-ethylcyclopentyl]methanamine?
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-ethylcyclopentyl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-ethylcyclopentyl]methanamine is sourced from PubChem (CID 64574765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).