1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone

C12H19N3O — CID 107062760

IUPAC1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCCC1(C(=O)Cc2cn(C)nn2)CCCC1
InChIInChI=1S/C12H19N3O/c1-3-12(6-4-5-7-12)11(16)8-10-9-15(2)14-13-10/h9H,3-8H2,1-2H3
InChIKeyMDSPVZMSBPRTOT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.90
Rot. Bonds4

About 1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone

1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone (PubChem CID 107062760) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone
PubChem CID107062760
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCCC1(C(=O)Cc2cn(C)nn2)CCCC1
InChIInChI=1S/C12H19N3O/c1-3-12(6-4-5-7-12)11(16)8-10-9-15(2)14-13-10/h9H,3-8H2,1-2H3
InChIKeyMDSPVZMSBPRTOT-UHFFFAOYSA-N
XLogP1.90
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone
CID 107062385
1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107061763
2-(1-methyltriazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 107062032
1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062017
2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone
CID 107047017
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107047533
1-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-ol
CID 107045687
1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
CID 107045659
4-methyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107057485
1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one
CID 107063090
1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol
CID 107048234

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone?
The IUPAC name of 1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone (CID 107062760) is 1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone is CCC1(C(=O)Cc2cn(C)nn2)CCCC1.
What is the InChIKey of 1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone?
The InChIKey is MDSPVZMSBPRTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-12(6-4-5-7-12)11(16)8-10-9-15(2)14-13-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone?
1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone has a molecular weight of 221.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone is sourced from PubChem (CID 107062760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).