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

C15H21N5O — CID 62936826

IUPAC2-[[2-(propylamino)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCNc1ncccc1Cn1nc2n(c1=O)CCCC2
InChIInChI=1S/C15H21N5O/c1-2-8-16-14-12(6-5-9-17-14)11-20-15(21)19-10-4-3-7-13(19)18-20/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,16,17)
InChIKeyTWZSAYHXHDLONH-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.65
Rot. Bonds5

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

2-[[2-(propylamino)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62936826) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[[2-(propylamino)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[[2-(propylamino)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62936826
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[[2-(propylamino)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCNc1ncccc1Cn1nc2n(c1=O)CCCC2
InChIInChI=1S/C15H21N5O/c1-2-8-16-14-12(6-5-9-17-14)11-20-15(21)19-10-4-3-7-13(19)18-20/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,16,17)
InChIKeyTWZSAYHXHDLONH-UHFFFAOYSA-N
XLogP1.65
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(propylamino)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[[2-(propylamino)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62936826) is 2-[[2-(propylamino)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[[2-(propylamino)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[[2-(propylamino)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCCNc1ncccc1Cn1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-[[2-(propylamino)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is TWZSAYHXHDLONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-8-16-14-12(6-5-9-17-14)11-20-15(21)19-10-4-3-7-13(19)18-20/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,16,17).
What are the key properties of 2-[[2-(propylamino)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[[2-(propylamino)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 287.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(propylamino)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62936826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).