2-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane

C12H20N4O — CID 142034308

IUPAC2-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane
SMILESCC.CN(C)CCn1nc2ccccn2c1=O
InChIInChI=1S/C10H14N4O.C2H6/c1-12(2)7-8-14-10(15)13-6-4-3-5-9(13)11-14;1-2/h3-6H,7-8H2,1-2H3;1-2H3
InChIKeyXUKZZBSAFQRODP-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.08
Rot. Bonds3

About 2-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane

2-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane (PubChem CID 142034308) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane
PubChem CID142034308
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane
SMILESCC.CN(C)CCn1nc2ccccn2c1=O
InChIInChI=1S/C10H14N4O.C2H6/c1-12(2)7-8-14-10(15)13-6-4-3-5-9(13)11-14;1-2/h3-6H,7-8H2,1-2H3;1-2H3
InChIKeyXUKZZBSAFQRODP-UHFFFAOYSA-N
XLogP1.08
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromoethyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42943777
2-(prop-2-en-1-yl)-2H,3H-(1,2,4)triazolo(4,3-a)pyridin-3-one
CID 70521154
N,N-dimethyl-4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazine-1-carboxamide
CID 45818016
1-Ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 47481211
2-[2-(4-Acetyl-1,4-diazepan-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 53498120
N,N-diethyl-2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetamide
CID 53521379
2-(3-aminopropyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43184095
2-(3-oxo-2H,3H-(1,2,4)triazolo(4,3-a)pyridin-2-yl)ethanethioamide
CID 24710736
2-(2-aminoethyl)-2H,3H-(1,2,4)triazolo(4,3-a)pyridin-3-one
CID 43184083
2-(2-propynyl)-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one
CID 14851942
8-Fluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158574
2-[2-[Methyl(3,3,3-trifluoropropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86842695

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane (CID 142034308) is 2-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane is CC.CN(C)CCn1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane?
The InChIKey is XUKZZBSAFQRODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O.C2H6/c1-12(2)7-8-14-10(15)13-6-4-3-5-9(13)11-14;1-2/h3-6H,7-8H2,1-2H3;1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane?
2-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane has a molecular weight of 236.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane is sourced from PubChem (CID 142034308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).