3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol

C8H15N3O — CID 2783851

IUPAC3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(C)(C)C(O)Cn1cncn1
InChIInChI=1S/C8H15N3O/c1-8(2,3)7(12)4-11-6-9-5-10-11/h5-7,12H,4H2,1-3H3
InChIKeyXTXIOQSXTHUASF-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.69
Rot. Bonds2

About 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol

3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 2783851) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID2783851
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(C)(C)C(O)Cn1cncn1
InChIInChI=1S/C8H15N3O/c1-8(2,3)7(12)4-11-6-9-5-10-11/h5-7,12H,4H2,1-3H3
InChIKeyXTXIOQSXTHUASF-UHFFFAOYSA-N
XLogP0.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,3S)-3-tert-butyloxiran-2-yl]-1,2,4-triazole
CID 13476582
4-Dimethyl-3-(1h-1,2,4-triazol-1-ylmethyl)pentan-3-ol
CID 15789960
4,4-Dimethyl-2-(1h-1,2,4-triazol-1-yl)pentan-3-ol
CID 70577128
1-Fluoro-2,2-dimethyl-4-(1,2,4-triazol-1-yl)pentan-3-ol
CID 12774202
4-Fluoro-3-(fluoromethyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 70529091
1-fluoro-3-(1H-1,2,4-triazol-1-yl)propan-2-ol
CID 130933228
1-(5-Fluoro-1,2,4-triazol-1-yl)butan-2-ol
CID 141134678
1-Fluoro-1-(1,2,4-triazol-1-yl)propan-2-ol
CID 152278224
2-(1,2,4-Triazol-1-yl)-1-[1-(trifluoromethyl)cyclopropyl]ethanol
CID 176163349
1-(1H-1,2,4-Triazol-1-YL)propan-2-OL
CID 14623255
3-Azido-1-(2-hydroxypropyl)-1,2,4-triazole
CID 23250693
3,3-Dimethyl-1-nitroso-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 132466537

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 2783851) is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol is CC(C)(C)C(O)Cn1cncn1.
What is the InChIKey of 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is XTXIOQSXTHUASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-8(2,3)7(12)4-11-6-9-5-10-11/h5-7,12H,4H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 169.23 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 2783851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).