6-methoxy-5-methyl-2-[[5-(2-methylpropyl)-1,2-dihydrotriazol-3-yl]methyl]oxane-3,4-diol

C14H27N3O4 — CID 163855026

IUPAC6-methoxy-5-methyl-2-[[5-(2-methylpropyl)-1,2-dihydrotriazol-3-yl]methyl]oxane-3,4-diol
SMILESCOC1OC(CN2C=C(CC(C)C)NN2)C(O)C(O)C1C
InChIInChI=1S/C14H27N3O4/c1-8(2)5-10-6-17(16-15-10)7-11-13(19)12(18)9(3)14(20-4)21-11/h6,8-9,11-16,18-19H,5,7H2,1-4H3
InChIKeyOXOKKFHIROFETF-UHFFFAOYSA-N
MW301.39 g/mol
LogP-0.07
Rot. Bonds5

About 6-methoxy-5-methyl-2-[[5-(2-methylpropyl)-1,2-dihydrotriazol-3-yl]methyl]oxane-3,4-diol

6-methoxy-5-methyl-2-[[5-(2-methylpropyl)-1,2-dihydrotriazol-3-yl]methyl]oxane-3,4-diol (PubChem CID 163855026) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-methoxy-5-methyl-2-[[5-(2-methylpropyl)-1,2-dihydrotriazol-3-yl]methyl]oxane-3,4-diol.

Molecular Properties

Compound Name6-methoxy-5-methyl-2-[[5-(2-methylpropyl)-1,2-dihydrotriazol-3-yl]methyl]oxane-3,4-diol
PubChem CID163855026
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name6-methoxy-5-methyl-2-[[5-(2-methylpropyl)-1,2-dihydrotriazol-3-yl]methyl]oxane-3,4-diol
SMILESCOC1OC(CN2C=C(CC(C)C)NN2)C(O)C(O)C1C
InChIInChI=1S/C14H27N3O4/c1-8(2)5-10-6-17(16-15-10)7-11-13(19)12(18)9(3)14(20-4)21-11/h6,8-9,11-16,18-19H,5,7H2,1-4H3
InChIKeyOXOKKFHIROFETF-UHFFFAOYSA-N
XLogP-0.07
TPSA86.22 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-5-methyl-2-[[5-(2-methylpropyl)-1,2-dihydrotriazol-3-yl]methyl]oxane-3,4-diol with MolForge

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Related Compounds

(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-methoxy-5-methyloxane-3,4-diol
CID 88976224
6-methoxy-5-methyl-2-[[4-[2-[2-(3-methylbutoxy)ethoxy]ethoxymethyl]triazol-1-yl]methyl]oxane-3,4-diol
CID 122682447
ethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol
CID 168912950
(2R,3R,4R,5R,6R)-2-[3-[(2R,3R,4R,5R,6R)-4-hydroxy-6-methoxy-3,5-dimethyloxan-2-yl]propyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 24763935
(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol
CID 130891159
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185
(3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol
CID 54071256
(3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol
CID 21122764
(2S,3R,4S,5R,6S)-2-(chloromethyl)-6-methoxyoxane-3,4,5-triol
CID 118225421
(2S,3S,4S,5S)-2-((18F)fluoromethyl)-6-methoxyoxane-3,4,5-triol
CID 15949247
(2R)-2-methoxy-6-(methoxymethyl)oxane-3,4,5-triol
CID 58069229
(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol
CID 118680820

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-2-[[5-(2-methylpropyl)-1,2-dihydrotriazol-3-yl]methyl]oxane-3,4-diol?
The IUPAC name of 6-methoxy-5-methyl-2-[[5-(2-methylpropyl)-1,2-dihydrotriazol-3-yl]methyl]oxane-3,4-diol (CID 163855026) is 6-methoxy-5-methyl-2-[[5-(2-methylpropyl)-1,2-dihydrotriazol-3-yl]methyl]oxane-3,4-diol.
What is the SMILES notation for 6-methoxy-5-methyl-2-[[5-(2-methylpropyl)-1,2-dihydrotriazol-3-yl]methyl]oxane-3,4-diol?
The canonical SMILES for 6-methoxy-5-methyl-2-[[5-(2-methylpropyl)-1,2-dihydrotriazol-3-yl]methyl]oxane-3,4-diol is COC1OC(CN2C=C(CC(C)C)NN2)C(O)C(O)C1C.
What is the InChIKey of 6-methoxy-5-methyl-2-[[5-(2-methylpropyl)-1,2-dihydrotriazol-3-yl]methyl]oxane-3,4-diol?
The InChIKey is OXOKKFHIROFETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-8(2)5-10-6-17(16-15-10)7-11-13(19)12(18)9(3)14(20-4)21-11/h6,8-9,11-16,18-19H,5,7H2,1-4H3.
What are the key properties of 6-methoxy-5-methyl-2-[[5-(2-methylpropyl)-1,2-dihydrotriazol-3-yl]methyl]oxane-3,4-diol?
6-methoxy-5-methyl-2-[[5-(2-methylpropyl)-1,2-dihydrotriazol-3-yl]methyl]oxane-3,4-diol has a molecular weight of 301.39 g/mol, XLogP of -0.07, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-2-[[5-(2-methylpropyl)-1,2-dihydrotriazol-3-yl]methyl]oxane-3,4-diol is sourced from PubChem (CID 163855026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).