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

C12H23N3O — CID 103867928

IUPAC6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-1-ol
SMILESCCc1nc(CC)n(CCCCCCO)n1
InChIInChI=1S/C12H23N3O/c1-3-11-13-12(4-2)15(14-11)9-7-5-6-8-10-16/h16H,3-10H2,1-2H3
InChIKeyPMODYDBSOKSSGQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.96
Rot. Bonds8

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

6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-1-ol (PubChem CID 103867928) 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-1-ol.

Molecular Properties

Compound Name6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-1-ol
PubChem CID103867928
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-1-ol
SMILESCCc1nc(CC)n(CCCCCCO)n1
InChIInChI=1S/C12H23N3O/c1-3-11-13-12(4-2)15(14-11)9-7-5-6-8-10-16/h16H,3-10H2,1-2H3
InChIKeyPMODYDBSOKSSGQ-UHFFFAOYSA-N
XLogP1.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Dimethyl-2-(1h-1,2,4 triazol-1-yl) pentan-3-ol
CID 61773095
5,5,5-Trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79954425
1-(2-Methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 21641162
3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propan-1-ol
CID 46318241
5-(4-Methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 69341495
5-(2-Methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 70041672
(1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 70043029
(1R)-1-(2-methyl-1,2,4-triazol-3-yl)hexan-1-ol
CID 70048126
6-(5-Ethyltetrazol-1-yl)hexan-1-ol
CID 139697698
6-(5-Methyltetrazol-1-yl)hexan-1-ol
CID 139697702
2-(1-Methyl-5-propyl-1,2,4-triazol-3-yl)pentane-1,3-diol
CID 141043465
2-(5-Ethyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethanol
CID 153328978

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-1-ol?
The IUPAC name of 6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-1-ol (CID 103867928) is 6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-1-ol.
What is the SMILES notation for 6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-1-ol?
The canonical SMILES for 6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-1-ol is CCc1nc(CC)n(CCCCCCO)n1.
What is the InChIKey of 6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-1-ol?
The InChIKey is PMODYDBSOKSSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-11-13-12(4-2)15(14-11)9-7-5-6-8-10-16/h16H,3-10H2,1-2H3.
What are the key properties of 6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-1-ol?
6-(3,5-diethyl-1,2,4-triazol-1-yl)hexan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.96, 8 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-1-ol is sourced from PubChem (CID 103867928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).