4-(2-methoxy-2-methylpropyl)-2H-triazole

C7H13N3O — CID 123773586

IUPAC4-(2-methoxy-2-methylpropyl)-2H-triazole
SMILESCOC(C)(C)Cc1cn[nH]n1
InChIInChI=1S/C7H13N3O/c1-7(2,11-3)4-6-5-8-10-9-6/h5H,4H2,1-3H3,(H,8,9,10)
InChIKeyJAVMVGXMPHSWRA-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.77
Rot. Bonds3

About 4-(2-methoxy-2-methylpropyl)-2H-triazole

4-(2-methoxy-2-methylpropyl)-2H-triazole (PubChem CID 123773586) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-(2-methoxy-2-methylpropyl)-2H-triazole.

Molecular Properties

Compound Name4-(2-methoxy-2-methylpropyl)-2H-triazole
PubChem CID123773586
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name4-(2-methoxy-2-methylpropyl)-2H-triazole
SMILESCOC(C)(C)Cc1cn[nH]n1
InChIInChI=1S/C7H13N3O/c1-7(2,11-3)4-6-5-8-10-9-6/h5H,4H2,1-3H3,(H,8,9,10)
InChIKeyJAVMVGXMPHSWRA-UHFFFAOYSA-N
XLogP0.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-2-methylpropyl)-2H-triazole?
The IUPAC name of 4-(2-methoxy-2-methylpropyl)-2H-triazole (CID 123773586) is 4-(2-methoxy-2-methylpropyl)-2H-triazole.
What is the SMILES notation for 4-(2-methoxy-2-methylpropyl)-2H-triazole?
The canonical SMILES for 4-(2-methoxy-2-methylpropyl)-2H-triazole is COC(C)(C)Cc1cn[nH]n1.
What is the InChIKey of 4-(2-methoxy-2-methylpropyl)-2H-triazole?
The InChIKey is JAVMVGXMPHSWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-7(2,11-3)4-6-5-8-10-9-6/h5H,4H2,1-3H3,(H,8,9,10).
What are the key properties of 4-(2-methoxy-2-methylpropyl)-2H-triazole?
4-(2-methoxy-2-methylpropyl)-2H-triazole has a molecular weight of 155.20 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-2-methylpropyl)-2H-triazole is sourced from PubChem (CID 123773586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).