2-[2-cyclopentyl-2-(methylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H24N4O — CID 104747612

IUPAC2-[2-cyclopentyl-2-(methylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCNC(Cn1nc2n(c1=O)CCCC2)C1CCCC1
InChIInChI=1S/C14H24N4O/c1-15-12(11-6-2-3-7-11)10-18-14(19)17-9-5-4-8-13(17)16-18/h11-12,15H,2-10H2,1H3
InChIKeyLRSWOVNDJJHSRS-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.16
Rot. Bonds4

About 2-[2-cyclopentyl-2-(methylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-cyclopentyl-2-(methylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 104747612) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-cyclopentyl-2-(methylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-cyclopentyl-2-(methylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID104747612
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[2-cyclopentyl-2-(methylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCNC(Cn1nc2n(c1=O)CCCC2)C1CCCC1
InChIInChI=1S/C14H24N4O/c1-15-12(11-6-2-3-7-11)10-18-14(19)17-9-5-4-8-13(17)16-18/h11-12,15H,2-10H2,1H3
InChIKeyLRSWOVNDJJHSRS-UHFFFAOYSA-N
XLogP1.16
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopentyl-2-(methylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-cyclopentyl-2-(methylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 104747612) is 2-[2-cyclopentyl-2-(methylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-cyclopentyl-2-(methylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-cyclopentyl-2-(methylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is CNC(Cn1nc2n(c1=O)CCCC2)C1CCCC1.
What is the InChIKey of 2-[2-cyclopentyl-2-(methylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is LRSWOVNDJJHSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-15-12(11-6-2-3-7-11)10-18-14(19)17-9-5-4-8-13(17)16-18/h11-12,15H,2-10H2,1H3.
What are the key properties of 2-[2-cyclopentyl-2-(methylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-cyclopentyl-2-(methylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 264.37 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopentyl-2-(methylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 104747612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).