ethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C12H23N3O — CID 172614898

IUPACethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC.CC.CC.O=c1cccc2nc[nH]n12
InChIInChI=1S/C6H5N3O.3C2H6/c10-6-3-1-2-5-7-4-8-9(5)6;3*1-2/h1-4H,(H,7,8);3*1-2H3
InChIKeyMNZHBFORGAXOPC-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.10
Rot. Bonds

About ethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

ethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 172614898) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is ethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Nameethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID172614898
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Nameethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC.CC.CC.O=c1cccc2nc[nH]n12
InChIInChI=1S/C6H5N3O.3C2H6/c10-6-3-1-2-5-7-4-8-9(5)6;3*1-2/h1-4H,(H,7,8);3*1-2H3
InChIKeyMNZHBFORGAXOPC-UHFFFAOYSA-N
XLogP3.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of ethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 172614898) is ethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for ethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for ethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is CC.CC.CC.O=c1cccc2nc[nH]n12.
What is the InChIKey of ethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is MNZHBFORGAXOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O.3C2H6/c10-6-3-1-2-5-7-4-8-9(5)6;3*1-2/h1-4H,(H,7,8);3*1-2H3.
What are the key properties of ethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
ethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 225.34 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 172614898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).