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

C15H18ClN5O — CID 71469160

IUPAC7-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCc1ccn2c(=O)[nH]nc2c1NCCCc1ccncc1.Cl
InChIInChI=1S/C15H17N5O.ClH/c1-11-6-10-20-14(18-19-15(20)21)13(11)17-7-2-3-12-4-8-16-9-5-12;/h4-6,8-10,17H,2-3,7H2,1H3,(H,19,21);1H
InChIKeyDYKQAQIXHLISIZ-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.19
Rot. Bonds5

About 7-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride

7-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (PubChem CID 71469160) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 7-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.

Molecular Properties

Compound Name7-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
PubChem CID71469160
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name7-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCc1ccn2c(=O)[nH]nc2c1NCCCc1ccncc1.Cl
InChIInChI=1S/C15H17N5O.ClH/c1-11-6-10-20-14(18-19-15(20)21)13(11)17-7-2-3-12-4-8-16-9-5-12;/h4-6,8-10,17H,2-3,7H2,1H3,(H,19,21);1H
InChIKeyDYKQAQIXHLISIZ-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 7-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The IUPAC name of 7-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (CID 71469160) is 7-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.
What is the SMILES notation for 7-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The canonical SMILES for 7-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is Cc1ccn2c(=O)[nH]nc2c1NCCCc1ccncc1.Cl.
What is the InChIKey of 7-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The InChIKey is DYKQAQIXHLISIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O.ClH/c1-11-6-10-20-14(18-19-15(20)21)13(11)17-7-2-3-12-4-8-16-9-5-12;/h4-6,8-10,17H,2-3,7H2,1H3,(H,19,21);1H.
What are the key properties of 7-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
7-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 7-methyl-8-(3-pyridin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is sourced from PubChem (CID 71469160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).