2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol

C15H19N3O5 — CID 59360693

IUPAC2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol
SMILESOC1COC(n2cc(COCc3ccccc3)nn2)C(O)C1O
InChIInChI=1S/C15H19N3O5/c19-12-9-23-15(14(21)13(12)20)18-6-11(16-17-18)8-22-7-10-4-2-1-3-5-10/h1-6,12-15,19-21H,7-9H2
InChIKeyASRVZBNKPCMILM-UHFFFAOYSA-N
MW321.33 g/mol
LogP-0.39
Rot. Bonds5

About 2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol

2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol (PubChem CID 59360693) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol
PubChem CID59360693
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol
SMILESOC1COC(n2cc(COCc3ccccc3)nn2)C(O)C1O
InChIInChI=1S/C15H19N3O5/c19-12-9-23-15(14(21)13(12)20)18-6-11(16-17-18)8-22-7-10-4-2-1-3-5-10/h1-6,12-15,19-21H,7-9H2
InChIKeyASRVZBNKPCMILM-UHFFFAOYSA-N
XLogP-0.39
TPSA109.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2S,3R,4S,5R)-2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol
CID 25011962
2-[4-[(4-phenylphenoxy)methyl]triazol-1-yl]oxane-3,4,5-triol
CID 59360646
2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol
CID 59360655
(2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol
CID 25014090
2-(4-phenyltriazol-1-yl)oxane-3,4,5-triol
CID 59360691
2-[4-[(4-nitrophenoxy)methyl]triazol-1-yl]oxane-3,4,5-triol
CID 59360726
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol
CID 59360678
(2R,3R,4S,5R)-2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol
CID 25014094
2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol
CID 59360717
[4,5-diacetyloxy-6-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxan-3-yl] acetate
CID 59360683
1-[(2R,5R)-3,4-dihydroxy-5-[[1-(3,4,5-trihydroxyoxan-2-yl)triazol-4-yl]methoxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 70880419
[(3R,4S,5R,6R)-4,5-diacetyloxy-6-[4-[(4-fluorophenyl)methoxymethyl]triazol-1-yl]oxan-3-yl] acetate
CID 25012614

Frequently Asked Questions

What is the IUPAC name of 2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol?
The IUPAC name of 2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol (CID 59360693) is 2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol.
What is the SMILES notation for 2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol?
The canonical SMILES for 2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol is OC1COC(n2cc(COCc3ccccc3)nn2)C(O)C1O.
What is the InChIKey of 2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol?
The InChIKey is ASRVZBNKPCMILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c19-12-9-23-15(14(21)13(12)20)18-6-11(16-17-18)8-22-7-10-4-2-1-3-5-10/h1-6,12-15,19-21H,7-9H2.
What are the key properties of 2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol?
2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol has a molecular weight of 321.33 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol is sourced from PubChem (CID 59360693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).