6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol

C13H26N4O — CID 64808836

IUPAC6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCn1nc(C)nc1C
InChIInChI=1S/C13H26N4O/c1-5-14-13(4,10-18)8-6-7-9-17-12(3)15-11(2)16-17/h14,18H,5-10H2,1-4H3
InChIKeyFIONRTHRJGAESI-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.43
Rot. Bonds8

About 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol

6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol (PubChem CID 64808836) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol
PubChem CID64808836
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCn1nc(C)nc1C
InChIInChI=1S/C13H26N4O/c1-5-14-13(4,10-18)8-6-7-9-17-12(3)15-11(2)16-17/h14,18H,5-10H2,1-4H3
InChIKeyFIONRTHRJGAESI-UHFFFAOYSA-N
XLogP1.43
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol?
The IUPAC name of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol (CID 64808836) is 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol.
What is the SMILES notation for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol?
The canonical SMILES for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol is CCNC(C)(CO)CCCCn1nc(C)nc1C.
What is the InChIKey of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol?
The InChIKey is FIONRTHRJGAESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-5-14-13(4,10-18)8-6-7-9-17-12(3)15-11(2)16-17/h14,18H,5-10H2,1-4H3.
What are the key properties of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol?
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol has a molecular weight of 254.38 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)-2-methylhexan-1-ol is sourced from PubChem (CID 64808836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).