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

C16H20ClN5O — CID 71682686

IUPAC6-methyl-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCc1cc(NCCCc2ccc(C)nc2)c2n[nH]c(=O)n2c1.Cl
InChIInChI=1S/C16H19N5O.ClH/c1-11-8-14(15-19-20-16(22)21(15)10-11)17-7-3-4-13-6-5-12(2)18-9-13;/h5-6,8-10,17H,3-4,7H2,1-2H3,(H,20,22);1H
InChIKeyMHGIVTZOCQVIMQ-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.50
Rot. Bonds5

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

6-methyl-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (PubChem CID 71682686) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 6-methyl-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.

Molecular Properties

Compound Name6-methyl-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
PubChem CID71682686
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name6-methyl-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCc1cc(NCCCc2ccc(C)nc2)c2n[nH]c(=O)n2c1.Cl
InChIInChI=1S/C16H19N5O.ClH/c1-11-8-14(15-19-20-16(22)21(15)10-11)17-7-3-4-13-6-5-12(2)18-9-13;/h5-6,8-10,17H,3-4,7H2,1-2H3,(H,20,22);1H
InChIKeyMHGIVTZOCQVIMQ-UHFFFAOYSA-N
XLogP2.50
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.50
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-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The IUPAC name of 6-methyl-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (CID 71682686) is 6-methyl-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-methyl-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The canonical SMILES for 6-methyl-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is Cc1cc(NCCCc2ccc(C)nc2)c2n[nH]c(=O)n2c1.Cl.
What is the InChIKey of 6-methyl-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The InChIKey is MHGIVTZOCQVIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O.ClH/c1-11-8-14(15-19-20-16(22)21(15)10-11)17-7-3-4-13-6-5-12(2)18-9-13;/h5-6,8-10,17H,3-4,7H2,1-2H3,(H,20,22);1H.
What are the key properties of 6-methyl-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
6-methyl-8-[3-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride has a molecular weight of 333.82 g/mol, XLogP of 2.50, 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-(6-methyl-3-pyridinyl)propylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is sourced from PubChem (CID 71682686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).