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

C8H11N3O — CID 162133291

IUPACethane;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC.O=c1[nH]nc2ccccn12
InChIInChI=1S/C6H5N3O.C2H6/c10-6-8-7-5-3-1-2-4-9(5)6;1-2/h1-4H,(H,8,10);1-2H3
InChIKeyZIYDSVIJGHMEGG-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.05
Rot. Bonds

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

ethane;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 162133291) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is ethane;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Nameethane;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID162133291
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Nameethane;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC.O=c1[nH]nc2ccccn12
InChIInChI=1S/C6H5N3O.C2H6/c10-6-8-7-5-3-1-2-4-9(5)6;1-2/h1-4H,(H,8,10);1-2H3
InChIKeyZIYDSVIJGHMEGG-UHFFFAOYSA-N
XLogP1.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 105432579
1-methyl-3H-pyrrolo[1,2-d][1,2,4]triazin-4-one
CID 174212509
6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 12040798
3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 63835596
7-pentan-2-yl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 166718693
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 91210925
6-bromo-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 90376481
4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one
CID 112786106
benzyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 166189955
3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 11499481
5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 79106781

Frequently Asked Questions

What is the IUPAC name of ethane;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of ethane;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 162133291) is ethane;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for ethane;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for ethane;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC.O=c1[nH]nc2ccccn12.
What is the InChIKey of ethane;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is ZIYDSVIJGHMEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O.C2H6/c10-6-8-7-5-3-1-2-4-9(5)6;1-2/h1-4H,(H,8,10);1-2H3.
What are the key properties of ethane;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
ethane;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 165.20 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 162133291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).