2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol

C11H22N4OS — CID 64806394

IUPAC2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol
SMILESCNC(C)(CO)CCCCSc1nncn1C
InChIInChI=1S/C11H22N4OS/c1-11(8-16,12-2)6-4-5-7-17-10-14-13-9-15(10)3/h9,12,16H,4-8H2,1-3H3
InChIKeyGRTJWCXGLVJGBA-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.05
Rot. Bonds8

About 2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol

2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol (PubChem CID 64806394) has the molecular formula C11H22N4OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol
PubChem CID64806394
Molecular FormulaC11H22N4OS
Molecular Weight258.39 g/mol
Exact Mass258.15
IUPAC Name2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol
SMILESCNC(C)(CO)CCCCSc1nncn1C
InChIInChI=1S/C11H22N4OS/c1-11(8-16,12-2)6-4-5-7-17-10-14-13-9-15(10)3/h9,12,16H,4-8H2,1-3H3
InChIKeyGRTJWCXGLVJGBA-UHFFFAOYSA-N
XLogP1.05
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol with MolForge

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Related Compounds

2-methyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
CID 64807236
2-amino-2-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 64807439
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)hexan-1-ol
CID 64806328
2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol
CID 79175697
2-(ethylamino)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
CID 64807850
2-ethyl-2-(methylamino)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanoic acid
CID 106807369
2-methyl-2-(methylamino)-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 104604816
2-methyl-2-(methylamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 64806820
2,2-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-amine
CID 65248710
3-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazole
CID 131206964
N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanimidamide
CID 77062438
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylbutan-1-amine
CID 62578296

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol (CID 64806394) is 2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol is CNC(C)(CO)CCCCSc1nncn1C.
What is the InChIKey of 2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol?
The InChIKey is GRTJWCXGLVJGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4OS/c1-11(8-16,12-2)6-4-5-7-17-10-14-13-9-15(10)3/h9,12,16H,4-8H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol?
2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol has a molecular weight of 258.39 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol is sourced from PubChem (CID 64806394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).