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

C13H22N4O — CID 62936493

IUPAC2-[2-(cyclopentylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCNC2CCCC2)nc2n1CCCC2
InChIInChI=1S/C13H22N4O/c18-13-16-9-4-3-7-12(16)15-17(13)10-8-14-11-5-1-2-6-11/h11,14H,1-10H2
InChIKeyKFHQLYGINSDTOX-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.91
Rot. Bonds4

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

2-[2-(cyclopentylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62936493) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[2-(cyclopentylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(cyclopentylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62936493
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[2-(cyclopentylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCNC2CCCC2)nc2n1CCCC2
InChIInChI=1S/C13H22N4O/c18-13-16-9-4-3-7-12(16)15-17(13)10-8-14-11-5-1-2-6-11/h11,14H,1-10H2
InChIKeyKFHQLYGINSDTOX-UHFFFAOYSA-N
XLogP0.91
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(cyclopentylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62936493) is 2-[2-(cyclopentylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(cyclopentylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(cyclopentylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCNC2CCCC2)nc2n1CCCC2.
What is the InChIKey of 2-[2-(cyclopentylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is KFHQLYGINSDTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c18-13-16-9-4-3-7-12(16)15-17(13)10-8-14-11-5-1-2-6-11/h11,14H,1-10H2.
What are the key properties of 2-[2-(cyclopentylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(cyclopentylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 250.35 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62936493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).