3-methyl-4-(2-methyltriazol-4-yl)butan-2-ol

C8H15N3O — CID 130592094

IUPAC3-methyl-4-(2-methyltriazol-4-yl)butan-2-ol
SMILESCC(O)C(C)Cc1cnn(C)n1
InChIInChI=1S/C8H15N3O/c1-6(7(2)12)4-8-5-9-11(3)10-8/h5-7,12H,4H2,1-3H3
InChIKeyJAADFLWFANLPRB-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.37
Rot. Bonds3

About 3-methyl-4-(2-methyltriazol-4-yl)butan-2-ol

3-methyl-4-(2-methyltriazol-4-yl)butan-2-ol (PubChem CID 130592094) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-methyl-4-(2-methyltriazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-4-(2-methyltriazol-4-yl)butan-2-ol
PubChem CID130592094
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-methyl-4-(2-methyltriazol-4-yl)butan-2-ol
SMILESCC(O)C(C)Cc1cnn(C)n1
InChIInChI=1S/C8H15N3O/c1-6(7(2)12)4-8-5-9-11(3)10-8/h5-7,12H,4H2,1-3H3
InChIKeyJAADFLWFANLPRB-UHFFFAOYSA-N
XLogP0.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
1-(2-methyltriazol-4-yl)ethanol
CID 130521764
2-methyl-4-(methylsulfanylmethyl)triazole
CID 130658803
ethane;2-methyl-4-(nitrosomethyl)triazole
CID 143608312
1-(1H-imidazol-2-yl)-2-(2-methyltriazol-4-yl)ethanamine
CID 130592078
2-[(2-methyltriazol-4-yl)methylsulfanyl]ethanol
CID 130588294
N-methoxy-1-(2-methyltriazol-4-yl)methanamine
CID 130588226
2-methyl-4-(pyrazol-1-ylmethyl)triazole
CID 130588297
3,3-difluoro-1-(2-methyltriazol-4-yl)butan-2-one
CID 130708382
3-methyl-4-pyrimidin-2-ylbutan-2-ol
CID 79424538
[1-[(2-methyltriazol-4-yl)methyl]cyclopentyl]methanol
CID 130592282
4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one
CID 130948204

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methyltriazol-4-yl)butan-2-ol?
The IUPAC name of 3-methyl-4-(2-methyltriazol-4-yl)butan-2-ol (CID 130592094) is 3-methyl-4-(2-methyltriazol-4-yl)butan-2-ol.
What is the SMILES notation for 3-methyl-4-(2-methyltriazol-4-yl)butan-2-ol?
The canonical SMILES for 3-methyl-4-(2-methyltriazol-4-yl)butan-2-ol is CC(O)C(C)Cc1cnn(C)n1.
What is the InChIKey of 3-methyl-4-(2-methyltriazol-4-yl)butan-2-ol?
The InChIKey is JAADFLWFANLPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(7(2)12)4-8-5-9-11(3)10-8/h5-7,12H,4H2,1-3H3.
What are the key properties of 3-methyl-4-(2-methyltriazol-4-yl)butan-2-ol?
3-methyl-4-(2-methyltriazol-4-yl)butan-2-ol has a molecular weight of 169.23 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methyltriazol-4-yl)butan-2-ol is sourced from PubChem (CID 130592094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).