(5,5-dimethyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

C11H18N4O3 — CID 116523250

IUPAC(5,5-dimethyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESCC1(C)CCC(COC(=O)Cn2cnc(N)n2)O1
InChIInChI=1S/C11H18N4O3/c1-11(2)4-3-8(18-11)6-17-9(16)5-15-7-13-10(12)14-15/h7-8H,3-6H2,1-2H3,(H2,12,14)
InChIKeyUTYGBWRRUZLTNZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.36
Rot. Bonds4

About (5,5-dimethyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

(5,5-dimethyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (PubChem CID 116523250) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (5,5-dimethyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.

Molecular Properties

Compound Name(5,5-dimethyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
PubChem CID116523250
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name(5,5-dimethyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESCC1(C)CCC(COC(=O)Cn2cnc(N)n2)O1
InChIInChI=1S/C11H18N4O3/c1-11(2)4-3-8(18-11)6-17-9(16)5-15-7-13-10(12)14-15/h7-8H,3-6H2,1-2H3,(H2,12,14)
InChIKeyUTYGBWRRUZLTNZ-UHFFFAOYSA-N
XLogP0.36
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5,5-dimethyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The IUPAC name of (5,5-dimethyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (CID 116523250) is (5,5-dimethyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.
What is the SMILES notation for (5,5-dimethyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The canonical SMILES for (5,5-dimethyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is CC1(C)CCC(COC(=O)Cn2cnc(N)n2)O1.
What is the InChIKey of (5,5-dimethyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The InChIKey is UTYGBWRRUZLTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-11(2)4-3-8(18-11)6-17-9(16)5-15-7-13-10(12)14-15/h7-8H,3-6H2,1-2H3,(H2,12,14).
What are the key properties of (5,5-dimethyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
(5,5-dimethyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate has a molecular weight of 254.29 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is sourced from PubChem (CID 116523250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).