[5-(2-fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol

C7H12FN3O — CID 130561800

IUPAC[5-(2-fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1C(C)(C)F
InChIInChI=1S/C7H12FN3O/c1-7(2,8)6-10-9-5(4-12)11(6)3/h12H,4H2,1-3H3
InChIKeyVVVJOVJEFFDFMP-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.51
Rot. Bonds2

About [5-(2-fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol

[5-(2-fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 130561800) has the molecular formula C7H12FN3O and a molecular weight of 173.19 g/mol. Its IUPAC name is [5-(2-fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID130561800
Molecular FormulaC7H12FN3O
Molecular Weight173.19 g/mol
Exact Mass173.10
IUPAC Name[5-(2-fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1C(C)(C)F
InChIInChI=1S/C7H12FN3O/c1-7(2,8)6-10-9-5(4-12)11(6)3/h12H,4H2,1-3H3
InChIKeyVVVJOVJEFFDFMP-UHFFFAOYSA-N
XLogP0.51
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.51
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-Propyl-4H-1,2,4-triazole-3-methanol
CID 22938629
1-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 45085253
(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71695279
(1,3-dimethyl-1H-1,2,4-triazol-5-yl)methanol
CID 84647940
(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
(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757969
[1-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 165997726
2-Fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol
CID 59330633
[5-Methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 68355492
[4-Methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]methanol
CID 97619252

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(2-fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol (CID 130561800) is [5-(2-fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(2-fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(2-fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1C(C)(C)F.
What is the InChIKey of [5-(2-fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is VVVJOVJEFFDFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O/c1-7(2,8)6-10-9-5(4-12)11(6)3/h12H,4H2,1-3H3.
What are the key properties of [5-(2-fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-(2-fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 173.19 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 130561800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).