(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanol

C8H15N3O — CID 156722449

IUPAC(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanol
SMILESCn1nc(C(C)(C)C)nc1CO
InChIInChI=1S/C8H15N3O/c1-8(2,3)7-9-6(5-12)11(4)10-7/h12H,5H2,1-4H3
InChIKeyINOXDWYIAORDOW-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.60
Rot. Bonds1

About (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanol

(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanol (PubChem CID 156722449) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanol
PubChem CID156722449
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanol
SMILESCn1nc(C(C)(C)C)nc1CO
InChIInChI=1S/C8H15N3O/c1-8(2,3)7-9-6(5-12)11(4)10-7/h12H,5H2,1-4H3
InChIKeyINOXDWYIAORDOW-UHFFFAOYSA-N
XLogP0.60
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanol (CID 156722449) is (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanol is Cn1nc(C(C)(C)C)nc1CO.
What is the InChIKey of (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is INOXDWYIAORDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-8(2,3)7-9-6(5-12)11(4)10-7/h12H,5H2,1-4H3.
What are the key properties of (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanol?
(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 169.23 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 156722449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).