2-[2-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H22N4O — CID 62043186

IUPAC2-[2-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCNC(CCC)Cn1nc2ccccn2c1=O
InChIInChI=1S/C14H22N4O/c1-3-7-12(15-9-4-2)11-18-14(19)17-10-6-5-8-13(17)16-18/h5-6,8,10,12,15H,3-4,7,9,11H2,1-2H3
InChIKeyXCEVBAXGZXMDRP-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.66
Rot. Bonds7

About 2-[2-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62043186) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[2-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62043186
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[2-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCNC(CCC)Cn1nc2ccccn2c1=O
InChIInChI=1S/C14H22N4O/c1-3-7-12(15-9-4-2)11-18-14(19)17-10-6-5-8-13(17)16-18/h5-6,8,10,12,15H,3-4,7,9,11H2,1-2H3
InChIKeyXCEVBAXGZXMDRP-UHFFFAOYSA-N
XLogP1.66
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62043186) is 2-[2-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCCNC(CCC)Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is XCEVBAXGZXMDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-7-12(15-9-4-2)11-18-14(19)17-10-6-5-8-13(17)16-18/h5-6,8,10,12,15H,3-4,7,9,11H2,1-2H3.
What are the key properties of 2-[2-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 262.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62043186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).