1-(2-propan-2-yloxyethyl)triazole

C7H13N3O — CID 58140171

IUPAC1-(2-propan-2-yloxyethyl)triazole
SMILESCC(C)OCCn1ccnn1
InChIInChI=1S/C7H13N3O/c1-7(2)11-6-5-10-4-3-8-9-10/h3-4,7H,5-6H2,1-2H3
InChIKeyJOSAYMIMHPGZDD-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.70
Rot. Bonds4

About 1-(2-propan-2-yloxyethyl)triazole

1-(2-propan-2-yloxyethyl)triazole (PubChem CID 58140171) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethyl)triazole.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethyl)triazole
PubChem CID58140171
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(2-propan-2-yloxyethyl)triazole
SMILESCC(C)OCCn1ccnn1
InChIInChI=1S/C7H13N3O/c1-7(2)11-6-5-10-4-3-8-9-10/h3-4,7H,5-6H2,1-2H3
InChIKeyJOSAYMIMHPGZDD-UHFFFAOYSA-N
XLogP0.70
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethyl)triazole?
The IUPAC name of 1-(2-propan-2-yloxyethyl)triazole (CID 58140171) is 1-(2-propan-2-yloxyethyl)triazole.
What is the SMILES notation for 1-(2-propan-2-yloxyethyl)triazole?
The canonical SMILES for 1-(2-propan-2-yloxyethyl)triazole is CC(C)OCCn1ccnn1.
What is the InChIKey of 1-(2-propan-2-yloxyethyl)triazole?
The InChIKey is JOSAYMIMHPGZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-7(2)11-6-5-10-4-3-8-9-10/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyethyl)triazole?
1-(2-propan-2-yloxyethyl)triazole has a molecular weight of 155.20 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethyl)triazole is sourced from PubChem (CID 58140171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).