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

C15H17Cl2N5O — CID 71469163

IUPAC6-chloro-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCc1ccc(CCCNc2cc(Cl)cn3c(=O)[nH]nc23)cn1.Cl
InChIInChI=1S/C15H16ClN5O.ClH/c1-10-4-5-11(8-18-10)3-2-6-17-13-7-12(16)9-21-14(13)19-20-15(21)22;/h4-5,7-9,17H,2-3,6H2,1H3,(H,20,22);1H
InChIKeyKWIWOUCJXNOEBK-UHFFFAOYSA-N
MW354.24 g/mol
LogP2.85
Rot. Bonds5

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

6-chloro-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (PubChem CID 71469163) has the molecular formula C15H17Cl2N5O and a molecular weight of 354.24 g/mol. Its IUPAC name is 6-chloro-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.

Molecular Properties

Compound Name6-chloro-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
PubChem CID71469163
Molecular FormulaC15H17Cl2N5O
Molecular Weight354.24 g/mol
Exact Mass353.08
IUPAC Name6-chloro-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCc1ccc(CCCNc2cc(Cl)cn3c(=O)[nH]nc23)cn1.Cl
InChIInChI=1S/C15H16ClN5O.ClH/c1-10-4-5-11(8-18-10)3-2-6-17-13-7-12(16)9-21-14(13)19-20-15(21)22;/h4-5,7-9,17H,2-3,6H2,1H3,(H,20,22);1H
InChIKeyKWIWOUCJXNOEBK-UHFFFAOYSA-N
XLogP2.85
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 52.85
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-chloro-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The IUPAC name of 6-chloro-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (CID 71469163) is 6-chloro-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.
What is the SMILES notation for 6-chloro-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The canonical SMILES for 6-chloro-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is Cc1ccc(CCCNc2cc(Cl)cn3c(=O)[nH]nc23)cn1.Cl.
What is the InChIKey of 6-chloro-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The InChIKey is KWIWOUCJXNOEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O.ClH/c1-10-4-5-11(8-18-10)3-2-6-17-13-7-12(16)9-21-14(13)19-20-15(21)22;/h4-5,7-9,17H,2-3,6H2,1H3,(H,20,22);1H.
What are the key properties of 6-chloro-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
6-chloro-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride has a molecular weight of 354.24 g/mol, XLogP of 2.85, 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-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is sourced from PubChem (CID 71469163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).