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

C14H15Cl2N5O — CID 71469038

IUPAC6-chloro-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCl.O=c1[nH]nc2c(NCCCc3cccnc3)cc(Cl)cn12
InChIInChI=1S/C14H14ClN5O.ClH/c15-11-7-12(13-18-19-14(21)20(13)9-11)17-6-2-4-10-3-1-5-16-8-10;/h1,3,5,7-9,17H,2,4,6H2,(H,19,21);1H
InChIKeyUCFLKJYTIWVLOF-UHFFFAOYSA-N
MW340.21 g/mol
LogP2.54
Rot. Bonds5

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

6-chloro-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (PubChem CID 71469038) has the molecular formula C14H15Cl2N5O and a molecular weight of 340.21 g/mol. Its IUPAC name is 6-chloro-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.

Molecular Properties

Compound Name6-chloro-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
PubChem CID71469038
Molecular FormulaC14H15Cl2N5O
Molecular Weight340.21 g/mol
Exact Mass339.07
IUPAC Name6-chloro-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCl.O=c1[nH]nc2c(NCCCc3cccnc3)cc(Cl)cn12
InChIInChI=1S/C14H14ClN5O.ClH/c15-11-7-12(13-18-19-14(21)20(13)9-11)17-6-2-4-10-3-1-5-16-8-10;/h1,3,5,7-9,17H,2,4,6H2,(H,19,21);1H
InChIKeyUCFLKJYTIWVLOF-UHFFFAOYSA-N
XLogP2.54
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-chloro-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-methyl-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 71468914
6-methyl-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 71002828
5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 69483563
6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282431
N-(4-chloro-2-fluorophenyl)-2-(3-pyridin-3-ylpropylamino)acetamide
CID 50958616
4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine
CID 82238157
3-chloro-N-(3-phenylpropyl)pyridin-4-amine
CID 79770520
3-chloro-4-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 83107487
2-chloro-1-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
CID 55026530
6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 25093973
2-ethyl-N-(2-pyridin-3-ylethyl)aniline
CID 55169393
2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline
CID 63265079

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The IUPAC name of 6-chloro-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (CID 71469038) is 6-chloro-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.
What is the SMILES notation for 6-chloro-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The canonical SMILES for 6-chloro-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is Cl.O=c1[nH]nc2c(NCCCc3cccnc3)cc(Cl)cn12.
What is the InChIKey of 6-chloro-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The InChIKey is UCFLKJYTIWVLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O.ClH/c15-11-7-12(13-18-19-14(21)20(13)9-11)17-6-2-4-10-3-1-5-16-8-10;/h1,3,5,7-9,17H,2,4,6H2,(H,19,21);1H.
What are the key properties of 6-chloro-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
6-chloro-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride has a molecular weight of 340.21 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(3-pyridin-3-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is sourced from PubChem (CID 71469038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).