(4S,5R,6R,7R)-4-amino-7-(hydroxymethyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5,6-diol

C7H12N4O3 — CID 10703186

IUPAC(4S,5R,6R,7R)-4-amino-7-(hydroxymethyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5,6-diol
SMILESN[C@H]1c2cnnn2[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H12N4O3/c8-5-3-1-9-10-11(3)4(2-12)6(13)7(5)14/h1,4-7,12-14H,2,8H2/t4-,5+,6-,7-/m1/s1
InChIKeySZDUYHOBUYTODU-XZBKPIIZSA-N
MW200.20 g/mol
LogP-2.45
Rot. Bonds1

About (4S,5R,6R,7R)-4-amino-7-(hydroxymethyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5,6-diol

(4S,5R,6R,7R)-4-amino-7-(hydroxymethyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5,6-diol (PubChem CID 10703186) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is (4S,5R,6R,7R)-4-amino-7-(hydroxymethyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5,6-diol.

Molecular Properties

Compound Name(4S,5R,6R,7R)-4-amino-7-(hydroxymethyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5,6-diol
PubChem CID10703186
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name(4S,5R,6R,7R)-4-amino-7-(hydroxymethyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5,6-diol
SMILESN[C@H]1c2cnnn2[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H12N4O3/c8-5-3-1-9-10-11(3)4(2-12)6(13)7(5)14/h1,4-7,12-14H,2,8H2/t4-,5+,6-,7-/m1/s1
InChIKeySZDUYHOBUYTODU-XZBKPIIZSA-N
XLogP-2.45
TPSA117.42 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-2.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (4S,5R,6R,7R)-4-amino-7-(hydroxymethyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5,6-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5R,6R,7R)-4-amino-7-(hydroxymethyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5,6-diol?
The IUPAC name of (4S,5R,6R,7R)-4-amino-7-(hydroxymethyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5,6-diol (CID 10703186) is (4S,5R,6R,7R)-4-amino-7-(hydroxymethyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5,6-diol.
What is the SMILES notation for (4S,5R,6R,7R)-4-amino-7-(hydroxymethyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5,6-diol?
The canonical SMILES for (4S,5R,6R,7R)-4-amino-7-(hydroxymethyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5,6-diol is N[C@H]1c2cnnn2[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (4S,5R,6R,7R)-4-amino-7-(hydroxymethyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5,6-diol?
The InChIKey is SZDUYHOBUYTODU-XZBKPIIZSA-N. The full InChI is InChI=1S/C7H12N4O3/c8-5-3-1-9-10-11(3)4(2-12)6(13)7(5)14/h1,4-7,12-14H,2,8H2/t4-,5+,6-,7-/m1/s1.
What are the key properties of (4S,5R,6R,7R)-4-amino-7-(hydroxymethyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5,6-diol?
(4S,5R,6R,7R)-4-amino-7-(hydroxymethyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5,6-diol has a molecular weight of 200.20 g/mol, XLogP of -2.45, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,6R,7R)-4-amino-7-(hydroxymethyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5,6-diol is sourced from PubChem (CID 10703186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).