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

C10H15N3O — CID 177158440

IUPACethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC.CCn1nc2ccccn2c1=O
InChIInChI=1S/C8H9N3O.C2H6/c1-2-11-8(12)10-6-4-3-5-7(10)9-11;1-2/h3-6H,2H2,1H3;1-2H3
InChIKeyMUSVHLZMKCSBMX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.54
Rot. Bonds1

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

ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 177158440) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Nameethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID177158440
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Nameethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC.CCn1nc2ccccn2c1=O
InChIInChI=1S/C8H9N3O.C2H6/c1-2-11-8(12)10-6-4-3-5-7(10)9-11;1-2/h3-6H,2H2,1H3;1-2H3
InChIKeyMUSVHLZMKCSBMX-UHFFFAOYSA-N
XLogP1.54
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618637
2-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115633546
2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86927836
2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 75864744
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
2-[2-(bromomethyl)-3-methylbutyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 65011802
2-[3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 61387565
2-methyl-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 116618681
2-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 78962136
2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 63656448
2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42954885
2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 177158440) is ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC.CCn1nc2ccccn2c1=O.
What is the InChIKey of ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is MUSVHLZMKCSBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O.C2H6/c1-2-11-8(12)10-6-4-3-5-7(10)9-11;1-2/h3-6H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 193.25 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 177158440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).