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

C8H15N3O — CID 130529355

IUPAC3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-ol
SMILESCC(C)CC(O)c1ncnn1C
InChIInChI=1S/C8H15N3O/c1-6(2)4-7(12)8-9-5-10-11(8)3/h5-7,12H,4H2,1-3H3
InChIKeyOROOMMJXLRWSSF-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.89
Rot. Bonds3

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

3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-ol (PubChem CID 130529355) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-ol
PubChem CID130529355
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-ol
SMILESCC(C)CC(O)c1ncnn1C
InChIInChI=1S/C8H15N3O/c1-6(2)4-7(12)8-9-5-10-11(8)3/h5-7,12H,4H2,1-3H3
InChIKeyOROOMMJXLRWSSF-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 70043029
(2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 90284000
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride
CID 47000789
1-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride
CID 75493804
2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 130530383
tert-butyl N-[1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]carbamate
CID 19820362
ethyl 2-(2-methyl-1,2,4-triazol-3-yl)propanoate
CID 79472097
1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 45490077
1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 95122495
2-(dimethylamino)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-ol
CID 130529651
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]oxane-4-carboxamide
CID 125437324
5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide
CID 122568494

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-ol?
The IUPAC name of 3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-ol (CID 130529355) is 3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-ol?
The canonical SMILES for 3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-ol is CC(C)CC(O)c1ncnn1C.
What is the InChIKey of 3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-ol?
The InChIKey is OROOMMJXLRWSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)4-7(12)8-9-5-10-11(8)3/h5-7,12H,4H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-ol?
3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-ol is sourced from PubChem (CID 130529355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).