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

C14H26N4O — CID 55157646

IUPAC2-[2-(propylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCNC(CCC)Cn1nc2n(c1=O)CCCC2
InChIInChI=1S/C14H26N4O/c1-3-7-12(15-9-4-2)11-18-14(19)17-10-6-5-8-13(17)16-18/h12,15H,3-11H2,1-2H3
InChIKeyZNKMNYVPTQPFRN-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.55
Rot. Bonds7

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

2-[2-(propylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 55157646) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[2-(propylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(propylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID55157646
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[2-(propylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCNC(CCC)Cn1nc2n(c1=O)CCCC2
InChIInChI=1S/C14H26N4O/c1-3-7-12(15-9-4-2)11-18-14(19)17-10-6-5-8-13(17)16-18/h12,15H,3-11H2,1-2H3
InChIKeyZNKMNYVPTQPFRN-UHFFFAOYSA-N
XLogP1.55
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.55
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]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(propylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 55157646) is 2-[2-(propylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(propylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(propylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCCNC(CCC)Cn1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-[2-(propylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is ZNKMNYVPTQPFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-7-12(15-9-4-2)11-18-14(19)17-10-6-5-8-13(17)16-18/h12,15H,3-11H2,1-2H3.
What are the key properties of 2-[2-(propylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(propylamino)pentyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 266.39 g/mol, XLogP of 1.55, 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]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 55157646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).