(2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol

C9H17N3O — CID 70048125

IUPAC(2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
SMILESCCCC[C@@](C)(O)c1ncnn1C
InChIInChI=1S/C9H17N3O/c1-4-5-6-9(2,13)8-10-7-11-12(8)3/h7,13H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyHPNPBYKJQNRSLV-SECBINFHSA-N
MW183.25 g/mol
LogP1.21
Rot. Bonds4

About (2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol

(2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol (PubChem CID 70048125) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol.

Molecular Properties

Compound Name(2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
PubChem CID70048125
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
SMILESCCCC[C@@](C)(O)c1ncnn1C
InChIInChI=1S/C9H17N3O/c1-4-5-6-9(2,13)8-10-7-11-12(8)3/h7,13H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyHPNPBYKJQNRSLV-SECBINFHSA-N
XLogP1.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol with MolForge

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Related Compounds

Methyl-3-(1 h-1,2,4-triazol-1-ylmethyl)-pentan-3-ol
CID 129724581
6,6,6-Trifluoro-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 113533974
6,6,6-Trifluoro-2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 116535893
1-(2-Ethyl-1,2,4-triazol-3-yl)-6,6,6-trifluoro-2-methylhexan-2-ol
CID 116535917
1-[1-(2-Ethyl-4,4,4-trifluorobutyl)-1,2,4-triazol-3-yl]cyclobutan-1-ol
CID 167992541
1-(2-Methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 21641162
4-Methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 57012857
2-(2-Methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 68295745
(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
3-[1-(2-Methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol
CID 71167280
2-(1-Methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 89228314

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol?
The IUPAC name of (2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol (CID 70048125) is (2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol.
What is the SMILES notation for (2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol?
The canonical SMILES for (2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol is CCCC[C@@](C)(O)c1ncnn1C.
What is the InChIKey of (2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol?
The InChIKey is HPNPBYKJQNRSLV-SECBINFHSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-5-6-9(2,13)8-10-7-11-12(8)3/h7,13H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol?
(2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol is sourced from PubChem (CID 70048125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).