1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one

C11H17N3O2 — CID 107047497

IUPAC1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one
SMILESCCOC(C(=O)Cc1cn(C)nn1)C1CC1
InChIInChI=1S/C11H17N3O2/c1-3-16-11(8-4-5-8)10(15)6-9-7-14(2)13-12-9/h7-8,11H,3-6H2,1-2H3
InChIKeyXZZPPRGIYYMHBF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.74
Rot. Bonds6

About 1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one

1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one (PubChem CID 107047497) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one
PubChem CID107047497
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one
SMILESCCOC(C(=O)Cc1cn(C)nn1)C1CC1
InChIInChI=1S/C11H17N3O2/c1-3-16-11(8-4-5-8)10(15)6-9-7-14(2)13-12-9/h7-8,11H,3-6H2,1-2H3
InChIKeyXZZPPRGIYYMHBF-UHFFFAOYSA-N
XLogP0.74
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-1-(1-methyltriazol-4-yl)butan-2-one
CID 107047079
1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107051012
3-methoxy-4-methyl-1-(1-methyltriazol-4-yl)pentan-2-one
CID 107047490
3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one
CID 107061961
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one
CID 107063090
4-cyclohexyl-1-(1-methyltriazol-4-yl)butan-2-one
CID 107063124
4-methyl-1-(1-methyltriazol-4-yl)hexan-2-one
CID 107062841
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclopropyl-1-ethoxypropan-2-one
CID 116709379
1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116751208
1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one
CID 116751307
1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103007918

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one?
The IUPAC name of 1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one (CID 107047497) is 1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one is CCOC(C(=O)Cc1cn(C)nn1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one?
The InChIKey is XZZPPRGIYYMHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-16-11(8-4-5-8)10(15)6-9-7-14(2)13-12-9/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one?
1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one is sourced from PubChem (CID 107047497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).