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

C12H19N3O — CID 142034306

IUPAC2-butyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane
SMILESCC.CCCCn1nc2ccccn2c1=O
InChIInChI=1S/C10H13N3O.C2H6/c1-2-3-8-13-10(14)12-7-5-4-6-9(12)11-13;1-2/h4-7H,2-3,8H2,1H3;1-2H3
InChIKeyCNJJOFSXQMAMKQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.32
Rot. Bonds3

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

2-butyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane (PubChem CID 142034306) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-butyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane.

Molecular Properties

Compound Name2-butyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane
PubChem CID142034306
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-butyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane
SMILESCC.CCCCn1nc2ccccn2c1=O
InChIInChI=1S/C10H13N3O.C2H6/c1-2-3-8-13-10(14)12-7-5-4-6-9(12)11-13;1-2/h4-7H,2-3,8H2,1H3;1-2H3
InChIKeyCNJJOFSXQMAMKQ-UHFFFAOYSA-N
XLogP2.32
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 45818016
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CID 47481211
CID 47481211
CID 43184095
CID 43184095
CID 14851942
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CID 72019304
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CID 177158574
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CID 86842695
CID 86842695
CID 104625972
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CID 106746304
CID 106746304

Frequently Asked Questions

What is the IUPAC name of 2-butyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane?
The IUPAC name of 2-butyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane (CID 142034306) is 2-butyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane.
What is the SMILES notation for 2-butyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane?
The canonical SMILES for 2-butyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane is CC.CCCCn1nc2ccccn2c1=O.
What is the InChIKey of 2-butyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane?
The InChIKey is CNJJOFSXQMAMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O.C2H6/c1-2-3-8-13-10(14)12-7-5-4-6-9(12)11-13;1-2/h4-7H,2-3,8H2,1H3;1-2H3.
What are the key properties of 2-butyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane?
2-butyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane has a molecular weight of 221.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-[1,2,4]triazolo[4,3-a]pyridin-3-one;ethane is sourced from PubChem (CID 142034306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).