2-[2-(4-amino-3-methylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride

C14H22ClN5O — CID 119925000

IUPAC2-[2-(4-amino-3-methylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCC1CN(CCn2nc3ccccn3c2=O)CCC1N.Cl
InChIInChI=1S/C14H21N5O.ClH/c1-11-10-17(7-5-12(11)15)8-9-19-14(20)18-6-3-2-4-13(18)16-19;/h2-4,6,11-12H,5,7-10,15H2,1H3;1H
InChIKeyLHZGUONZSURKPO-UHFFFAOYSA-N
MW311.82 g/mol
LogP0.59
Rot. Bonds3

About 2-[2-(4-amino-3-methylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride

2-[2-(4-amino-3-methylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (PubChem CID 119925000) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 2-[2-(4-amino-3-methylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-amino-3-methylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
PubChem CID119925000
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name2-[2-(4-amino-3-methylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
SMILESCC1CN(CCn2nc3ccccn3c2=O)CCC1N.Cl
InChIInChI=1S/C14H21N5O.ClH/c1-11-10-17(7-5-12(11)15)8-9-19-14(20)18-6-3-2-4-13(18)16-19;/h2-4,6,11-12H,5,7-10,15H2,1H3;1H
InChIKeyLHZGUONZSURKPO-UHFFFAOYSA-N
XLogP0.59
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-3-methylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The IUPAC name of 2-[2-(4-amino-3-methylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (CID 119925000) is 2-[2-(4-amino-3-methylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.
What is the SMILES notation for 2-[2-(4-amino-3-methylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The canonical SMILES for 2-[2-(4-amino-3-methylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is CC1CN(CCn2nc3ccccn3c2=O)CCC1N.Cl.
What is the InChIKey of 2-[2-(4-amino-3-methylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
The InChIKey is LHZGUONZSURKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O.ClH/c1-11-10-17(7-5-12(11)15)8-9-19-14(20)18-6-3-2-4-13(18)16-19;/h2-4,6,11-12H,5,7-10,15H2,1H3;1H.
What are the key properties of 2-[2-(4-amino-3-methylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?
2-[2-(4-amino-3-methylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride has a molecular weight of 311.82 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-3-methylpiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is sourced from PubChem (CID 119925000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).