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

C15H17N5O — CID 71003002

IUPAC6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cc(NCCCc2ccncc2)c2n[nH]c(=O)n2c1
InChIInChI=1S/C15H17N5O/c1-11-9-13(14-18-19-15(21)20(14)10-11)17-6-2-3-12-4-7-16-8-5-12/h4-5,7-10,17H,2-3,6H2,1H3,(H,19,21)
InChIKeyAELWDCDMPFGKBB-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.77
Rot. Bonds5

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

6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 71003002) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID71003002
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cc(NCCCc2ccncc2)c2n[nH]c(=O)n2c1
InChIInChI=1S/C15H17N5O/c1-11-9-13(14-18-19-15(21)20(14)10-11)17-6-2-3-12-4-7-16-8-5-12/h4-5,7-10,17H,2-3,6H2,1H3,(H,19,21)
InChIKeyAELWDCDMPFGKBB-UHFFFAOYSA-N
XLogP1.77
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 71003002) is 6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1cc(NCCCc2ccncc2)c2n[nH]c(=O)n2c1.
What is the InChIKey of 6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is AELWDCDMPFGKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-9-13(14-18-19-15(21)20(14)10-11)17-6-2-3-12-4-7-16-8-5-12/h4-5,7-10,17H,2-3,6H2,1H3,(H,19,21).
What are the key properties of 6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 283.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 71003002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).