2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H20N4O — CID 62562115

IUPAC2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCCNC2CCCC2)nc2ccccn12
InChIInChI=1S/C14H20N4O/c19-14-17-10-4-3-8-13(17)16-18(14)11-5-9-15-12-6-1-2-7-12/h3-4,8,10,12,15H,1-2,5-7,9,11H2
InChIKeyAJHNVMKNUKNUDE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.42
Rot. Bonds5

About 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62562115) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62562115
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCCNC2CCCC2)nc2ccccn12
InChIInChI=1S/C14H20N4O/c19-14-17-10-4-3-8-13(17)16-18(14)11-5-9-15-12-6-1-2-7-12/h3-4,8,10,12,15H,1-2,5-7,9,11H2
InChIKeyAJHNVMKNUKNUDE-UHFFFAOYSA-N
XLogP1.42
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62562115) is 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCCNC2CCCC2)nc2ccccn12.
What is the InChIKey of 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is AJHNVMKNUKNUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c19-14-17-10-4-3-8-13(17)16-18(14)11-5-9-15-12-6-1-2-7-12/h3-4,8,10,12,15H,1-2,5-7,9,11H2.
What are the key properties of 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 260.34 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62562115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).