2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol

C10H17N3O — CID 130674404

IUPAC2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol
SMILESCC1CC(O)(Cc2cn(C)nn2)C1C
InChIInChI=1S/C10H17N3O/c1-7-4-10(14,8(7)2)5-9-6-13(3)12-11-9/h6-8,14H,4-5H2,1-3H3
InChIKeyIFLBWNSFGXQDCG-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.76
Rot. Bonds2

About 2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol

2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol (PubChem CID 130674404) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol
PubChem CID130674404
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol
SMILESCC1CC(O)(Cc2cn(C)nn2)C1C
InChIInChI=1S/C10H17N3O/c1-7-4-10(14,8(7)2)5-9-6-13(3)12-11-9/h6-8,14H,4-5H2,1-3H3
InChIKeyIFLBWNSFGXQDCG-UHFFFAOYSA-N
XLogP0.76
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol with MolForge

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Related Compounds

2-methyl-1-[1-[2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]ethyl]triazol-4-yl]propan-2-ol
CID 137632313
1-[(1-Methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 107046078
6,6,6-Trifluoro-2-methyl-1-(1-methyltriazol-4-yl)hexan-2-ol
CID 107046460
2-(1-Methyltriazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 107065580
1-(4,4-Difluorocyclohexyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065626
2-(1-Methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
CID 107065635
1-[(1-Methyltriazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 113909637
1-[1-[(4,4-Difluorocyclohexyl)methyl]triazol-4-yl]-2-methylbutan-2-ol
CID 138056428
2-Methyl-1-(1-propyltriazol-4-yl)pentan-2-ol
CID 54165491
2-Methyl-1-(1-methyltriazol-4-yl)pentan-2-ol
CID 57054216
3-Ethyl-6-(1-propyltriazol-4-yl)hexan-3-ol
CID 57086717
2-[1-(4,5-Dimethylhexyl)triazol-4-yl]ethanol
CID 59163165

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol (CID 130674404) is 2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol is CC1CC(O)(Cc2cn(C)nn2)C1C.
What is the InChIKey of 2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol?
The InChIKey is IFLBWNSFGXQDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-4-10(14,8(7)2)5-9-6-13(3)12-11-9/h6-8,14H,4-5H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol?
2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 130674404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).