1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol

C13H25N3O — CID 114213613

IUPAC1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol
SMILESCCn1nncc1C(O)CC(C)CC(C)(C)C
InChIInChI=1S/C13H25N3O/c1-6-16-11(9-14-15-16)12(17)7-10(2)8-13(3,4)5/h9-10,12,17H,6-8H2,1-5H3
InChIKeySBILTAKTKCFHIQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.79
Rot. Bonds5

About 1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol

1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol (PubChem CID 114213613) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol.

Molecular Properties

Compound Name1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol
PubChem CID114213613
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol
SMILESCCn1nncc1C(O)CC(C)CC(C)(C)C
InChIInChI=1S/C13H25N3O/c1-6-16-11(9-14-15-16)12(17)7-10(2)8-13(3,4)5/h9-10,12,17H,6-8H2,1-5H3
InChIKeySBILTAKTKCFHIQ-UHFFFAOYSA-N
XLogP2.79
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 114213459
1-(4-bromo-1-ethylpyrazol-5-yl)-3,5,5-trimethylhexan-1-ol
CID 115834803
N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine
CID 105038801
N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine
CID 105043720
1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine
CID 130715109
2-(3-ethyltriazol-4-yl)propan-2-ol
CID 115012063
(3-ethyltriazol-4-yl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 114213614
1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 114213625
4-(3-propyltriazol-4-yl)pentan-2-ol
CID 114690551
(5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol
CID 114212999
2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine
CID 114213225
[4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol
CID 114212993

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol?
The IUPAC name of 1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol (CID 114213613) is 1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol.
What is the SMILES notation for 1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol?
The canonical SMILES for 1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol is CCn1nncc1C(O)CC(C)CC(C)(C)C.
What is the InChIKey of 1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol?
The InChIKey is SBILTAKTKCFHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-16-11(9-14-15-16)12(17)7-10(2)8-13(3,4)5/h9-10,12,17H,6-8H2,1-5H3.
What are the key properties of 1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol?
1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol is sourced from PubChem (CID 114213613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).