6-methyl-8-(3-piperazin-1-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H22N6O — CID 71002871

IUPAC6-methyl-8-(3-piperazin-1-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cc(NCCCN2CCNCC2)c2n[nH]c(=O)n2c1
InChIInChI=1S/C14H22N6O/c1-11-9-12(13-17-18-14(21)20(13)10-11)16-3-2-6-19-7-4-15-5-8-19/h9-10,15-16H,2-8H2,1H3,(H,18,21)
InChIKeyUIGOLTQPMBFMML-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.04
Rot. Bonds5

About 6-methyl-8-(3-piperazin-1-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-methyl-8-(3-piperazin-1-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 71002871) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-methyl-8-(3-piperazin-1-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-methyl-8-(3-piperazin-1-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID71002871
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name6-methyl-8-(3-piperazin-1-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cc(NCCCN2CCNCC2)c2n[nH]c(=O)n2c1
InChIInChI=1S/C14H22N6O/c1-11-9-12(13-17-18-14(21)20(13)10-11)16-3-2-6-19-7-4-15-5-8-19/h9-10,15-16H,2-8H2,1H3,(H,18,21)
InChIKeyUIGOLTQPMBFMML-UHFFFAOYSA-N
XLogP0.04
TPSA77.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 6-methyl-8-(3-piperazin-1-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-methyl-8-(3-piperazin-1-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 71002871) is 6-methyl-8-(3-piperazin-1-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-methyl-8-(3-piperazin-1-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-methyl-8-(3-piperazin-1-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1cc(NCCCN2CCNCC2)c2n[nH]c(=O)n2c1.
What is the InChIKey of 6-methyl-8-(3-piperazin-1-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is UIGOLTQPMBFMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-11-9-12(13-17-18-14(21)20(13)10-11)16-3-2-6-19-7-4-15-5-8-19/h9-10,15-16H,2-8H2,1H3,(H,18,21).
What are the key properties of 6-methyl-8-(3-piperazin-1-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-methyl-8-(3-piperazin-1-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-(3-piperazin-1-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 71002871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).