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

C15H28N4O — CID 106800379

IUPAC2-[4-(propylamino)hexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCNC(CC)CCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C15H28N4O/c1-3-10-16-13(4-2)8-7-12-19-15(20)18-11-6-5-9-14(18)17-19/h13,16H,3-12H2,1-2H3
InChIKeyYDKPETCREQEUET-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.94
Rot. Bonds8

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

2-[4-(propylamino)hexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 106800379) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[4-(propylamino)hexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[4-(propylamino)hexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID106800379
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[4-(propylamino)hexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCNC(CC)CCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C15H28N4O/c1-3-10-16-13(4-2)8-7-12-19-15(20)18-11-6-5-9-14(18)17-19/h13,16H,3-12H2,1-2H3
InChIKeyYDKPETCREQEUET-UHFFFAOYSA-N
XLogP1.94
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(propylamino)hexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[4-(propylamino)hexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 106800379) is 2-[4-(propylamino)hexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[4-(propylamino)hexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[4-(propylamino)hexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCCNC(CC)CCCn1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-[4-(propylamino)hexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is YDKPETCREQEUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-10-16-13(4-2)8-7-12-19-15(20)18-11-6-5-9-14(18)17-19/h13,16H,3-12H2,1-2H3.
What are the key properties of 2-[4-(propylamino)hexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[4-(propylamino)hexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 280.42 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propylamino)hexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 106800379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).