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

C15H18ClN5O — CID 71468914

IUPAC6-methyl-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCc1cc(NCCCc2cccnc2)c2n[nH]c(=O)n2c1.Cl
InChIInChI=1S/C15H17N5O.ClH/c1-11-8-13(14-18-19-15(21)20(14)10-11)17-7-3-5-12-4-2-6-16-9-12;/h2,4,6,8-10,17H,3,5,7H2,1H3,(H,19,21);1H
InChIKeyMHISQWIVORXZIP-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.19
Rot. Bonds5

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

6-methyl-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (PubChem CID 71468914) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 6-methyl-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.

Molecular Properties

Compound Name6-methyl-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
PubChem CID71468914
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name6-methyl-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCc1cc(NCCCc2cccnc2)c2n[nH]c(=O)n2c1.Cl
InChIInChI=1S/C15H17N5O.ClH/c1-11-8-13(14-18-19-15(21)20(14)10-11)17-7-3-5-12-4-2-6-16-9-12;/h2,4,6,8-10,17H,3,5,7H2,1H3,(H,19,21);1H
InChIKeyMHISQWIVORXZIP-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'}

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

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Related Compounds

6-chloro-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 71469038
6-methyl-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 71002828
7-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 71469160
5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 69483563
2-ethyl-N-(2-pyridin-3-ylethyl)aniline
CID 55169393
2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline
CID 63265079
6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282431
4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine
CID 82238157
5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281597
2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 150350313
N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine
CID 113410445
2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one
CID 137015427

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The IUPAC name of 6-methyl-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (CID 71468914) is 6-methyl-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.
What is the SMILES notation for 6-methyl-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The canonical SMILES for 6-methyl-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is Cc1cc(NCCCc2cccnc2)c2n[nH]c(=O)n2c1.Cl.
What is the InChIKey of 6-methyl-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The InChIKey is MHISQWIVORXZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O.ClH/c1-11-8-13(14-18-19-15(21)20(14)10-11)17-7-3-5-12-4-2-6-16-9-12;/h2,4,6,8-10,17H,3,5,7H2,1H3,(H,19,21);1H.
What are the key properties of 6-methyl-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
6-methyl-8-(3-pyridin-3-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-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is sourced from PubChem (CID 71468914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).