(4R,5S,6R,7S)-7-methoxy-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-4,5,6-triol

C7H11N3O4 — CID 102188931

IUPAC(4R,5S,6R,7S)-7-methoxy-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-4,5,6-triol
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)c2cnnn21
InChIInChI=1S/C7H11N3O4/c1-14-7-6(13)5(12)4(11)3-2-8-9-10(3)7/h2,4-7,11-13H,1H3/t4-,5+,6-,7+/m1/s1
InChIKeyXYSZAEZBAWKATF-UCROKIRRSA-N
MW201.18 g/mol
LogP-1.81
Rot. Bonds1

About (4R,5S,6R,7S)-7-methoxy-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-4,5,6-triol

(4R,5S,6R,7S)-7-methoxy-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-4,5,6-triol (PubChem CID 102188931) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is (4R,5S,6R,7S)-7-methoxy-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-4,5,6-triol.

Molecular Properties

Compound Name(4R,5S,6R,7S)-7-methoxy-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-4,5,6-triol
PubChem CID102188931
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name(4R,5S,6R,7S)-7-methoxy-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-4,5,6-triol
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)c2cnnn21
InChIInChI=1S/C7H11N3O4/c1-14-7-6(13)5(12)4(11)3-2-8-9-10(3)7/h2,4-7,11-13H,1H3/t4-,5+,6-,7+/m1/s1
InChIKeyXYSZAEZBAWKATF-UCROKIRRSA-N
XLogP-1.81
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 ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R,7S)-7-methoxy-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-4,5,6-triol?
The IUPAC name of (4R,5S,6R,7S)-7-methoxy-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-4,5,6-triol (CID 102188931) is (4R,5S,6R,7S)-7-methoxy-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-4,5,6-triol.
What is the SMILES notation for (4R,5S,6R,7S)-7-methoxy-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-4,5,6-triol?
The canonical SMILES for (4R,5S,6R,7S)-7-methoxy-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-4,5,6-triol is CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)c2cnnn21.
What is the InChIKey of (4R,5S,6R,7S)-7-methoxy-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-4,5,6-triol?
The InChIKey is XYSZAEZBAWKATF-UCROKIRRSA-N. The full InChI is InChI=1S/C7H11N3O4/c1-14-7-6(13)5(12)4(11)3-2-8-9-10(3)7/h2,4-7,11-13H,1H3/t4-,5+,6-,7+/m1/s1.
What are the key properties of (4R,5S,6R,7S)-7-methoxy-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-4,5,6-triol?
(4R,5S,6R,7S)-7-methoxy-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-4,5,6-triol has a molecular weight of 201.18 g/mol, XLogP of -1.81, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R,7S)-7-methoxy-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-4,5,6-triol is sourced from PubChem (CID 102188931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).