1-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-amine

C10H18N4O — CID 114621254

IUPAC1-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-amine
SMILESCC1(C)CC(n2cnc(N)n2)C(C)(C)O1
InChIInChI=1S/C10H18N4O/c1-9(2)5-7(10(3,4)15-9)14-6-12-8(11)13-14/h6-7H,5H2,1-4H3,(H2,11,13)
InChIKeyZFFAJKTXTXVZEM-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.38
Rot. Bonds1

About 1-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-amine

1-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-amine (PubChem CID 114621254) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-amine
PubChem CID114621254
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-amine
SMILESCC1(C)CC(n2cnc(N)n2)C(C)(C)O1
InChIInChI=1S/C10H18N4O/c1-9(2)5-7(10(3,4)15-9)14-6-12-8(11)13-14/h6-7H,5H2,1-4H3,(H2,11,13)
InChIKeyZFFAJKTXTXVZEM-UHFFFAOYSA-N
XLogP1.38
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-amine (CID 114621254) is 1-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-amine is CC1(C)CC(n2cnc(N)n2)C(C)(C)O1.
What is the InChIKey of 1-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-amine?
The InChIKey is ZFFAJKTXTXVZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-9(2)5-7(10(3,4)15-9)14-6-12-8(11)13-14/h6-7H,5H2,1-4H3,(H2,11,13).
What are the key properties of 1-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-amine?
1-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-amine has a molecular weight of 210.28 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 114621254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).