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

C8H15N3O — CID 115396472

IUPAC(4-tert-butyl-5-methyl-1,2,4-triazol-3-yl)methanol
SMILESCc1nnc(CO)n1C(C)(C)C
InChIInChI=1S/C8H15N3O/c1-6-9-10-7(5-12)11(6)8(2,3)4/h12H,5H2,1-4H3
InChIKeyBOZLDTDEPHCSFQ-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.83
Rot. Bonds1

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

(4-tert-butyl-5-methyl-1,2,4-triazol-3-yl)methanol (PubChem CID 115396472) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (4-tert-butyl-5-methyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(4-tert-butyl-5-methyl-1,2,4-triazol-3-yl)methanol
PubChem CID115396472
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(4-tert-butyl-5-methyl-1,2,4-triazol-3-yl)methanol
SMILESCc1nnc(CO)n1C(C)(C)C
InChIInChI=1S/C8H15N3O/c1-6-9-10-7(5-12)11(6)8(2,3)4/h12H,5H2,1-4H3
InChIKeyBOZLDTDEPHCSFQ-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(dimethyl-4H-1,2,4-triazol-3-yl)methanol
CID 18726738
(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71695279
(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 53613687
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
[4-Tert-butyl-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213635
[4-Tert-butyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213636
[4-Tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 103311291
[4-Tert-butyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol
CID 113301612
[4-Tert-butyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
CID 113789055
[4-Tert-butyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 115396432
[4-Tert-butyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 115396445
[4-Tert-butyl-5-(difluoromethyl)-1,2,4-triazol-3-yl]methanol
CID 115396505

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-5-methyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (4-tert-butyl-5-methyl-1,2,4-triazol-3-yl)methanol (CID 115396472) is (4-tert-butyl-5-methyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (4-tert-butyl-5-methyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (4-tert-butyl-5-methyl-1,2,4-triazol-3-yl)methanol is Cc1nnc(CO)n1C(C)(C)C.
What is the InChIKey of (4-tert-butyl-5-methyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is BOZLDTDEPHCSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-9-10-7(5-12)11(6)8(2,3)4/h12H,5H2,1-4H3.
What are the key properties of (4-tert-butyl-5-methyl-1,2,4-triazol-3-yl)methanol?
(4-tert-butyl-5-methyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 169.23 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-5-methyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 115396472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).