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

C16H31N3O — CID 91284315

IUPAC2,3-dimethyl-3-[1-(2,4,4-trimethylpentan-2-yl)triazol-4-yl]butan-2-ol
SMILESCC(C)(C)CC(C)(C)n1cc(C(C)(C)C(C)(C)O)nn1
InChIInChI=1S/C16H31N3O/c1-13(2,3)11-14(4,5)19-10-12(17-18-19)15(6,7)16(8,9)20/h10,20H,11H2,1-9H3
InChIKeyNGLCTVAGBFICQJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.50
Rot. Bonds4

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

2,3-dimethyl-3-[1-(2,4,4-trimethylpentan-2-yl)triazol-4-yl]butan-2-ol (PubChem CID 91284315) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2,3-dimethyl-3-[1-(2,4,4-trimethylpentan-2-yl)triazol-4-yl]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-[1-(2,4,4-trimethylpentan-2-yl)triazol-4-yl]butan-2-ol
PubChem CID91284315
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2,3-dimethyl-3-[1-(2,4,4-trimethylpentan-2-yl)triazol-4-yl]butan-2-ol
SMILESCC(C)(C)CC(C)(C)n1cc(C(C)(C)C(C)(C)O)nn1
InChIInChI=1S/C16H31N3O/c1-13(2,3)11-14(4,5)19-10-12(17-18-19)15(6,7)16(8,9)20/h10,20H,11H2,1-9H3
InChIKeyNGLCTVAGBFICQJ-UHFFFAOYSA-N
XLogP3.50
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethyl-3-[1-(2,4,4-trimethylpentan-2-yl)triazol-4-yl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis(2,4,4-trimethylpentan-2-yl)triazole
CID 123345375
1-(2-methylhexan-2-yl)-4-(2,4,4-trimethylhexan-2-yl)triazole
CID 176985068
1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole
CID 134560662
bis(1,4-ditert-butyltriazole);methane
CID 158842263
2-(4-tert-butyltriazol-1-yl)propane-2-thiol
CID 170097807
1-tert-butyl-4-(2-methylpentan-2-yl)triazole
CID 123716234
5-[3-[1-[2,4-dimethyl-4-(methylamino)pentan-2-yl]triazol-4-yl]-3-methylbutoxy]-5-methylhexan-2-one;ethane
CID 171085101
4-(5,5-dimethylhexyl)-1-(2-methylpentan-2-yl)triazole
CID 130295953
1-(2,4,4-trimethylpentan-2-yl)pyrazole
CID 123161936
3-[[[3-[1-(4-ethoxy-2-methylbutan-2-yl)triazol-4-yl]-2,2,3-trimethylbutanoyl]amino]methyl]-2,2,3-trimethylpentanamide
CID 178008589
1-tert-butyl-4-(3-methylheptan-3-yl)triazole
CID 139427991
1-[(2S)-5-(4-tert-butyltriazol-1-yl)-5-methylhexan-2-yl]-4-ethyltriazole
CID 174013771

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[1-(2,4,4-trimethylpentan-2-yl)triazol-4-yl]butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-[1-(2,4,4-trimethylpentan-2-yl)triazol-4-yl]butan-2-ol (CID 91284315) is 2,3-dimethyl-3-[1-(2,4,4-trimethylpentan-2-yl)triazol-4-yl]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-[1-(2,4,4-trimethylpentan-2-yl)triazol-4-yl]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-[1-(2,4,4-trimethylpentan-2-yl)triazol-4-yl]butan-2-ol is CC(C)(C)CC(C)(C)n1cc(C(C)(C)C(C)(C)O)nn1.
What is the InChIKey of 2,3-dimethyl-3-[1-(2,4,4-trimethylpentan-2-yl)triazol-4-yl]butan-2-ol?
The InChIKey is NGLCTVAGBFICQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2,3)11-14(4,5)19-10-12(17-18-19)15(6,7)16(8,9)20/h10,20H,11H2,1-9H3.
What are the key properties of 2,3-dimethyl-3-[1-(2,4,4-trimethylpentan-2-yl)triazol-4-yl]butan-2-ol?
2,3-dimethyl-3-[1-(2,4,4-trimethylpentan-2-yl)triazol-4-yl]butan-2-ol has a molecular weight of 281.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[1-(2,4,4-trimethylpentan-2-yl)triazol-4-yl]butan-2-ol is sourced from PubChem (CID 91284315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).