(2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol

C11H21N3O — CID 10036067

IUPAC(2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol
SMILESCCCCCC[C@H]([C@H](C)O)n1cnnc1
InChIInChI=1S/C11H21N3O/c1-3-4-5-6-7-11(10(2)15)14-8-12-13-9-14/h8-11,15H,3-7H2,1-2H3/t10-,11+/m0/s1
InChIKeyDXYLKUYBUZJUSZ-WDEREUQCSA-N
MW211.31 g/mol
LogP2.17
Rot. Bonds7

About (2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol

(2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol (PubChem CID 10036067) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol
PubChem CID10036067
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol
SMILESCCCCCC[C@H]([C@H](C)O)n1cnnc1
InChIInChI=1S/C11H21N3O/c1-3-4-5-6-7-11(10(2)15)14-8-12-13-9-14/h8-11,15H,3-7H2,1-2H3/t10-,11+/m0/s1
InChIKeyDXYLKUYBUZJUSZ-WDEREUQCSA-N
XLogP2.17
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.17
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

1-(2-hydroxynonan-3-yl)imidazole-4-carbothioamide
CID 14888768
3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol
CID 70378398
N-ethyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide
CID 14888746
CID 172691644
CID 172691644
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
decane;dodecane-1,1-diol
CID 162011285
nonacosane-1,1-diol
CID 23066924
(2R,3S)-dodecane-2,3-diol
CID 163394646
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
ethyl 1-[(2R,3R)-2-hydroxynonan-3-yl]-1,2,4-triazole-3-carboxylate
CID 102328424
ethyl 1-[(2S,3R)-2-hydroxynonan-3-yl]-1,2,4-triazole-3-carboxylate
CID 102328422

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol?
The IUPAC name of (2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol (CID 10036067) is (2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol.
What is the SMILES notation for (2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol?
The canonical SMILES for (2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol is CCCCCC[C@H]([C@H](C)O)n1cnnc1.
What is the InChIKey of (2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol?
The InChIKey is DXYLKUYBUZJUSZ-WDEREUQCSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-4-5-6-7-11(10(2)15)14-8-12-13-9-14/h8-11,15H,3-7H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol?
(2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol is sourced from PubChem (CID 10036067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).