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

C11H17N3O2 — CID 58115709

IUPAC(4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCn1cc(C2CC2)nn1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)10(15)16-7-14-6-9(12-13-14)8-4-5-8/h6,8H,4-5,7H2,1-3H3
InChIKeyFOCNUZAPQMLXOR-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.70
Rot. Bonds3

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

(4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate (PubChem CID 58115709) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate
PubChem CID58115709
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCn1cc(C2CC2)nn1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)10(15)16-7-14-6-9(12-13-14)8-4-5-8/h6,8H,4-5,7H2,1-3H3
InChIKeyFOCNUZAPQMLXOR-UHFFFAOYSA-N
XLogP1.70
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.70
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?
The IUPAC name of (4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate (CID 58115709) is (4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCn1cc(C2CC2)nn1.
What is the InChIKey of (4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is FOCNUZAPQMLXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)10(15)16-7-14-6-9(12-13-14)8-4-5-8/h6,8H,4-5,7H2,1-3H3.
What are the key properties of (4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate?
(4-cyclopropyltriazol-1-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 223.28 g/mol, XLogP of 1.70, 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 is sourced from PubChem (CID 58115709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).