4-(2-ethoxy-2-methylpropyl)-1-methyltriazole

C9H17N3O — CID 167113328

IUPAC4-(2-ethoxy-2-methylpropyl)-1-methyltriazole
SMILESCCOC(C)(C)Cc1cn(C)nn1
InChIInChI=1S/C9H17N3O/c1-5-13-9(2,3)6-8-7-12(4)11-10-8/h7H,5-6H2,1-4H3
InChIKeyGKQSOFGGVKNVFW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.17
Rot. Bonds4

About 4-(2-ethoxy-2-methylpropyl)-1-methyltriazole

4-(2-ethoxy-2-methylpropyl)-1-methyltriazole (PubChem CID 167113328) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(2-ethoxy-2-methylpropyl)-1-methyltriazole.

Molecular Properties

Compound Name4-(2-ethoxy-2-methylpropyl)-1-methyltriazole
PubChem CID167113328
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-(2-ethoxy-2-methylpropyl)-1-methyltriazole
SMILESCCOC(C)(C)Cc1cn(C)nn1
InChIInChI=1S/C9H17N3O/c1-5-13-9(2,3)6-8-7-12(4)11-10-8/h7H,5-6H2,1-4H3
InChIKeyGKQSOFGGVKNVFW-UHFFFAOYSA-N
XLogP1.17
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-2-methylpropyl)-1-methyltriazole?
The IUPAC name of 4-(2-ethoxy-2-methylpropyl)-1-methyltriazole (CID 167113328) is 4-(2-ethoxy-2-methylpropyl)-1-methyltriazole.
What is the SMILES notation for 4-(2-ethoxy-2-methylpropyl)-1-methyltriazole?
The canonical SMILES for 4-(2-ethoxy-2-methylpropyl)-1-methyltriazole is CCOC(C)(C)Cc1cn(C)nn1.
What is the InChIKey of 4-(2-ethoxy-2-methylpropyl)-1-methyltriazole?
The InChIKey is GKQSOFGGVKNVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-5-13-9(2,3)6-8-7-12(4)11-10-8/h7H,5-6H2,1-4H3.
What are the key properties of 4-(2-ethoxy-2-methylpropyl)-1-methyltriazole?
4-(2-ethoxy-2-methylpropyl)-1-methyltriazole has a molecular weight of 183.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-2-methylpropyl)-1-methyltriazole is sourced from PubChem (CID 167113328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).