2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one

C11H19N3O — CID 115802313

IUPAC2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one
SMILESCCCn1nncc1C(=O)C(CC)CC
InChIInChI=1S/C11H19N3O/c1-4-7-14-10(8-12-13-14)11(15)9(5-2)6-3/h8-9H,4-7H2,1-3H3
InChIKeyCGHHYHGXEDTUPA-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.31
Rot. Bonds6

About 2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one

2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one (PubChem CID 115802313) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one
PubChem CID115802313
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one
SMILESCCCn1nncc1C(=O)C(CC)CC
InChIInChI=1S/C11H19N3O/c1-4-7-14-10(8-12-13-14)11(15)9(5-2)6-3/h8-9H,4-7H2,1-3H3
InChIKeyCGHHYHGXEDTUPA-UHFFFAOYSA-N
XLogP2.31
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone
CID 114691818
2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone
CID 114692308
2-(aminomethyl)-1-(3-methyltriazol-4-yl)butan-1-one
CID 114692044
1-(3-propyltriazol-4-yl)octan-1-one
CID 115802389
3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 114692097
4-amino-1-(3-propyltriazol-4-yl)pentan-1-one
CID 114692018
3-amino-4,4-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-one
CID 114692341
(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanone
CID 114685686
(3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone
CID 114686087
(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone
CID 114685710
cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone
CID 103448123
3-(2,2-difluoroethoxy)-1-(3-propyltriazol-4-yl)propan-1-one
CID 103147118

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one (CID 115802313) is 2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one is CCCn1nncc1C(=O)C(CC)CC.
What is the InChIKey of 2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one?
The InChIKey is CGHHYHGXEDTUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-7-14-10(8-12-13-14)11(15)9(5-2)6-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one?
2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one has a molecular weight of 209.29 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one is sourced from PubChem (CID 115802313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).