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

C15H18ClN5O — CID 71468664

IUPAC6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCc1cc(NCCCc2ccncc2)c2n[nH]c(=O)n2c1.Cl
InChIInChI=1S/C15H17N5O.ClH/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);1H
InChIKeyVPBRFZTXBXPQAI-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.19
Rot. Bonds5

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

6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (PubChem CID 71468664) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.

Molecular Properties

Compound Name6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
PubChem CID71468664
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCc1cc(NCCCc2ccncc2)c2n[nH]c(=O)n2c1.Cl
InChIInChI=1S/C15H17N5O.ClH/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);1H
InChIKeyVPBRFZTXBXPQAI-UHFFFAOYSA-N
XLogP2.19
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.19
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;hydrochloride?
The IUPAC name of 6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (CID 71468664) is 6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.
What is the SMILES notation for 6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The canonical SMILES for 6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is Cc1cc(NCCCc2ccncc2)c2n[nH]c(=O)n2c1.Cl.
What is the InChIKey of 6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The InChIKey is VPBRFZTXBXPQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O.ClH/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);1H.
What are the key properties of 6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
6-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride has a molecular weight of 319.80 g/mol, XLogP of 2.19, 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;hydrochloride is sourced from PubChem (CID 71468664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).