ethane;2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one

C11H17N3O — CID 177158819

IUPACethane;2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC.CC(C)n1nc2ccccn2c1=O
InChIInChI=1S/C9H11N3O.C2H6/c1-7(2)12-9(13)11-6-4-3-5-8(11)10-12;1-2/h3-7H,1-2H3;1-2H3
InChIKeyAVDOUJIVKSNFDB-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.10
Rot. Bonds1

About ethane;2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one

ethane;2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 177158819) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is ethane;2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Nameethane;2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID177158819
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Nameethane;2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC.CC(C)n1nc2ccccn2c1=O
InChIInChI=1S/C9H11N3O.C2H6/c1-7(2)12-9(13)11-6-4-3-5-8(11)10-12;1-2/h3-7H,1-2H3;1-2H3
InChIKeyAVDOUJIVKSNFDB-UHFFFAOYSA-N
XLogP2.10
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-Butan-2-yl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 47092526
2-(2-propynyl)-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one
CID 14851942
5,7-Difluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 89697831
2-Propan-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 141419527
2-Propan-2-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 176752764
8-Fluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158574
2-(3-oxobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CID 178185716
2-(2-fluoroethyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 104625972
Trifluoro-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)prop-1-en-2-yl]boranuide
CID 106746304

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of ethane;2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 177158819) is ethane;2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for ethane;2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for ethane;2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC.CC(C)n1nc2ccccn2c1=O.
What is the InChIKey of ethane;2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is AVDOUJIVKSNFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O.C2H6/c1-7(2)12-9(13)11-6-4-3-5-8(11)10-12;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of ethane;2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
ethane;2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 207.28 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 177158819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).