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

C15H22N4O — CID 167904939

IUPAC3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol
SMILESCC(C)(C)C(O)Cc1cn(CCc2ccccn2)nn1
InChIInChI=1S/C15H22N4O/c1-15(2,3)14(20)10-13-11-19(18-17-13)9-7-12-6-4-5-8-16-12/h4-6,8,11,14,20H,7,9-10H2,1-3H3
InChIKeyGEFZOYMCLHOKQJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.87
Rot. Bonds5

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

3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol (PubChem CID 167904939) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol
PubChem CID167904939
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol
SMILESCC(C)(C)C(O)Cc1cn(CCc2ccccn2)nn1
InChIInChI=1S/C15H22N4O/c1-15(2,3)14(20)10-13-11-19(18-17-13)9-7-12-6-4-5-8-16-12/h4-6,8,11,14,20H,7,9-10H2,1-3H3
InChIKeyGEFZOYMCLHOKQJ-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
CID 62393585
2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide
CID 114778652
5-[1-(2-pyridin-2-ylethyl)triazol-4-yl]pentanoic acid
CID 104538704
5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine
CID 79547302
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine
CID 62417286
2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine
CID 112718307
2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol
CID 79097183
2-methyl-4-pyridin-2-ylbutan-2-ol
CID 145217393
1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine
CID 60910683
N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66191763
2-[2-(3-tert-butyl-1,2,4-triazol-4-yl)ethyl]pyridine
CID 129175051
(3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone
CID 138051926

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol (CID 167904939) is 3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol is CC(C)(C)C(O)Cc1cn(CCc2ccccn2)nn1.
What is the InChIKey of 3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol?
The InChIKey is GEFZOYMCLHOKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2,3)14(20)10-13-11-19(18-17-13)9-7-12-6-4-5-8-16-12/h4-6,8,11,14,20H,7,9-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol?
3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol has a molecular weight of 274.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[1-(2-pyridin-2-ylethyl)triazol-4-yl]butan-2-ol is sourced from PubChem (CID 167904939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).