6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-3-ol

C12H23N3O — CID 106802578

IUPAC6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-3-ol
SMILESCCc1nc(CC)n(CCCC(O)CC)n1
InChIInChI=1S/C12H23N3O/c1-4-10(16)8-7-9-15-12(6-3)13-11(5-2)14-15/h10,16H,4-9H2,1-3H3
InChIKeyHMOWMNHJLBNDSW-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.95
Rot. Bonds7

About 6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-3-ol

6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-3-ol (PubChem CID 106802578) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-3-ol.

Molecular Properties

Compound Name6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-3-ol
PubChem CID106802578
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-3-ol
SMILESCCc1nc(CC)n(CCCC(O)CC)n1
InChIInChI=1S/C12H23N3O/c1-4-10(16)8-7-9-15-12(6-3)13-11(5-2)14-15/h10,16H,4-9H2,1-3H3
InChIKeyHMOWMNHJLBNDSW-UHFFFAOYSA-N
XLogP1.95
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-3-ol with MolForge

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Related Compounds

(1S)-1-[5-tert-butyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-3-methylbutan-1-ol
CID 97452955
4-Dimethyl-2-(1h-1,2,4 triazol-1-yl) pentan-3-ol
CID 61773095
1-(2-Ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluorobutan-2-ol
CID 65605004
4,4,4-Trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-ol
CID 65605005
4,4,4-Trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ol
CID 65605204
5,5,5-Trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79952884
1-(2-Ethyl-1,2,4-triazol-3-yl)-5,5,5-trifluoropentan-2-ol
CID 79952998
5,5,5-Trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
CID 79953741
5,5,5-Trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79954077
5,5,5-Trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79954425
(1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol
CID 11834352
4-(3,5-Dimethyl-1,2,4-triazol-4-yl)butanol
CID 19864525

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-3-ol?
The IUPAC name of 6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-3-ol (CID 106802578) is 6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-3-ol.
What is the SMILES notation for 6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-3-ol?
The canonical SMILES for 6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-3-ol is CCc1nc(CC)n(CCCC(O)CC)n1.
What is the InChIKey of 6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-3-ol?
The InChIKey is HMOWMNHJLBNDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-10(16)8-7-9-15-12(6-3)13-11(5-2)14-15/h10,16H,4-9H2,1-3H3.
What are the key properties of 6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-3-ol?
6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-3-ol has a molecular weight of 225.34 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-3-ol is sourced from PubChem (CID 106802578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).