3-[1-[(2,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]-2,2-dimethylpropan-1-ol

C15H22N4O — CID 138056398

IUPAC3-[1-[(2,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]-2,2-dimethylpropan-1-ol
SMILESCc1ccc(Cn2cc(CC(C)(C)CO)nn2)c(C)n1
InChIInChI=1S/C15H22N4O/c1-11-5-6-13(12(2)16-11)8-19-9-14(17-18-19)7-15(3,4)10-20/h5-6,9,20H,7-8,10H2,1-4H3
InChIKeyAVJVXOCNMQLFHN-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.90
Rot. Bonds5

About 3-[1-[(2,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]-2,2-dimethylpropan-1-ol

3-[1-[(2,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]-2,2-dimethylpropan-1-ol (PubChem CID 138056398) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-[1-[(2,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[1-[(2,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]-2,2-dimethylpropan-1-ol
PubChem CID138056398
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-[1-[(2,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]-2,2-dimethylpropan-1-ol
SMILESCc1ccc(Cn2cc(CC(C)(C)CO)nn2)c(C)n1
InChIInChI=1S/C15H22N4O/c1-11-5-6-13(12(2)16-11)8-19-9-14(17-18-19)7-15(3,4)10-20/h5-6,9,20H,7-8,10H2,1-4H3
InChIKeyAVJVXOCNMQLFHN-UHFFFAOYSA-N
XLogP1.90
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol
CID 91087646
[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 107309596
3-[1-(2,3-difluorophenyl)triazol-4-yl]-2,2-dimethylpropan-1-ol
CID 139019704
3-[[4-(bromomethyl)triazol-1-yl]methyl]-2-methylpyridine
CID 130571658
2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol
CID 62400404
[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 62402021
N-[[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114349953
1-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-2-methylpropan-2-ol
CID 136569277
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-methylpyridine
CID 79261155
2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol
CID 55066755
4-(2-bromoethyl)-1-[(2,5-dimethylphenyl)methyl]triazole
CID 62395142
N-[[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193808

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[1-[(2,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]-2,2-dimethylpropan-1-ol (CID 138056398) is 3-[1-[(2,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[1-[(2,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[1-[(2,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]-2,2-dimethylpropan-1-ol is Cc1ccc(Cn2cc(CC(C)(C)CO)nn2)c(C)n1.
What is the InChIKey of 3-[1-[(2,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is AVJVXOCNMQLFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11-5-6-13(12(2)16-11)8-19-9-14(17-18-19)7-15(3,4)10-20/h5-6,9,20H,7-8,10H2,1-4H3.
What are the key properties of 3-[1-[(2,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]-2,2-dimethylpropan-1-ol?
3-[1-[(2,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 274.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 138056398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).