(1-tert-butyltriazol-4-yl)methanol

C7H13N3O — CID 67023023

IUPAC(1-tert-butyltriazol-4-yl)methanol
SMILESCC(C)(C)n1cc(CO)nn1
InChIInChI=1S/C7H13N3O/c1-7(2,3)10-4-6(5-11)8-9-10/h4,11H,5H2,1-3H3
InChIKeyKETGYXFSSXEWJZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.53
Rot. Bonds1

About (1-tert-butyltriazol-4-yl)methanol

(1-tert-butyltriazol-4-yl)methanol (PubChem CID 67023023) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (1-tert-butyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-tert-butyltriazol-4-yl)methanol
PubChem CID67023023
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(1-tert-butyltriazol-4-yl)methanol
SMILESCC(C)(C)n1cc(CO)nn1
InChIInChI=1S/C7H13N3O/c1-7(2,3)10-4-6(5-11)8-9-10/h4,11H,5H2,1-3H3
InChIKeyKETGYXFSSXEWJZ-UHFFFAOYSA-N
XLogP0.53
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyltriazol-4-yl)methanol?
The IUPAC name of (1-tert-butyltriazol-4-yl)methanol (CID 67023023) is (1-tert-butyltriazol-4-yl)methanol.
What is the SMILES notation for (1-tert-butyltriazol-4-yl)methanol?
The canonical SMILES for (1-tert-butyltriazol-4-yl)methanol is CC(C)(C)n1cc(CO)nn1.
What is the InChIKey of (1-tert-butyltriazol-4-yl)methanol?
The InChIKey is KETGYXFSSXEWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-7(2,3)10-4-6(5-11)8-9-10/h4,11H,5H2,1-3H3.
What are the key properties of (1-tert-butyltriazol-4-yl)methanol?
(1-tert-butyltriazol-4-yl)methanol has a molecular weight of 155.20 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyltriazol-4-yl)methanol is sourced from PubChem (CID 67023023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).