(4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate;ethane

C13H23N3O2 — CID 143819275

IUPAC(4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate;ethane
SMILESCC.CC(C)(C)C(=O)OCn1cc(C2CC2)nn1
InChIInChI=1S/C11H17N3O2.C2H6/c1-11(2,3)10(15)16-7-14-6-9(12-13-14)8-4-5-8;1-2/h6,8H,4-5,7H2,1-3H3;1-2H3
InChIKeyZVHSZJQPWLWAHM-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.73
Rot. Bonds3

About (4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate;ethane

(4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate;ethane (PubChem CID 143819275) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate;ethane.

Molecular Properties

Compound Name(4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate;ethane
PubChem CID143819275
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate;ethane
SMILESCC.CC(C)(C)C(=O)OCn1cc(C2CC2)nn1
InChIInChI=1S/C11H17N3O2.C2H6/c1-11(2,3)10(15)16-7-14-6-9(12-13-14)8-4-5-8;1-2/h6,8H,4-5,7H2,1-3H3;1-2H3
InChIKeyZVHSZJQPWLWAHM-UHFFFAOYSA-N
XLogP2.73
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate;ethane?
The IUPAC name of (4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate;ethane (CID 143819275) is (4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate;ethane.
What is the SMILES notation for (4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate;ethane?
The canonical SMILES for (4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate;ethane is CC.CC(C)(C)C(=O)OCn1cc(C2CC2)nn1.
What is the InChIKey of (4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate;ethane?
The InChIKey is ZVHSZJQPWLWAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2.C2H6/c1-11(2,3)10(15)16-7-14-6-9(12-13-14)8-4-5-8;1-2/h6,8H,4-5,7H2,1-3H3;1-2H3.
What are the key properties of (4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate;ethane?
(4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate;ethane has a molecular weight of 253.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate;ethane is sourced from PubChem (CID 143819275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).