(3S,4R,5R)-5-(3-methyl-1,2,4-triazol-1-yl)oxolane-2,3,4-triol

C7H11N3O4 — CID 70917700

IUPAC(3S,4R,5R)-5-(3-methyl-1,2,4-triazol-1-yl)oxolane-2,3,4-triol
SMILESCc1ncn([C@@H]2OC(O)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C7H11N3O4/c1-3-8-2-10(9-3)6-4(11)5(12)7(13)14-6/h2,4-7,11-13H,1H3/t4-,5+,6-,7?/m1/s1
InChIKeyMPARACNPGUIXAF-JFRCYRBUSA-N
MW201.18 g/mol
LogP-1.84
Rot. Bonds1

About (3S,4R,5R)-5-(3-methyl-1,2,4-triazol-1-yl)oxolane-2,3,4-triol

(3S,4R,5R)-5-(3-methyl-1,2,4-triazol-1-yl)oxolane-2,3,4-triol (PubChem CID 70917700) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is (3S,4R,5R)-5-(3-methyl-1,2,4-triazol-1-yl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(3S,4R,5R)-5-(3-methyl-1,2,4-triazol-1-yl)oxolane-2,3,4-triol
PubChem CID70917700
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name(3S,4R,5R)-5-(3-methyl-1,2,4-triazol-1-yl)oxolane-2,3,4-triol
SMILESCc1ncn([C@@H]2OC(O)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C7H11N3O4/c1-3-8-2-10(9-3)6-4(11)5(12)7(13)14-6/h2,4-7,11-13H,1H3/t4-,5+,6-,7?/m1/s1
InChIKeyMPARACNPGUIXAF-JFRCYRBUSA-N
XLogP-1.84
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-5-(3-methyl-1,2,4-triazol-1-yl)oxolane-2,3,4-triol?
The IUPAC name of (3S,4R,5R)-5-(3-methyl-1,2,4-triazol-1-yl)oxolane-2,3,4-triol (CID 70917700) is (3S,4R,5R)-5-(3-methyl-1,2,4-triazol-1-yl)oxolane-2,3,4-triol.
What is the SMILES notation for (3S,4R,5R)-5-(3-methyl-1,2,4-triazol-1-yl)oxolane-2,3,4-triol?
The canonical SMILES for (3S,4R,5R)-5-(3-methyl-1,2,4-triazol-1-yl)oxolane-2,3,4-triol is Cc1ncn([C@@H]2OC(O)[C@@H](O)[C@H]2O)n1.
What is the InChIKey of (3S,4R,5R)-5-(3-methyl-1,2,4-triazol-1-yl)oxolane-2,3,4-triol?
The InChIKey is MPARACNPGUIXAF-JFRCYRBUSA-N. The full InChI is InChI=1S/C7H11N3O4/c1-3-8-2-10(9-3)6-4(11)5(12)7(13)14-6/h2,4-7,11-13H,1H3/t4-,5+,6-,7?/m1/s1.
What are the key properties of (3S,4R,5R)-5-(3-methyl-1,2,4-triazol-1-yl)oxolane-2,3,4-triol?
(3S,4R,5R)-5-(3-methyl-1,2,4-triazol-1-yl)oxolane-2,3,4-triol has a molecular weight of 201.18 g/mol, XLogP of -1.84, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-5-(3-methyl-1,2,4-triazol-1-yl)oxolane-2,3,4-triol is sourced from PubChem (CID 70917700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).