(5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-3-one

C7H12N2O5 — CID 10608241

IUPAC(5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-3-one
SMILESO=C1NC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12
InChIInChI=1S/C7H12N2O5/c10-3-2-1-8-7(14)9(2)6(13)5(12)4(3)11/h2-6,10-13H,1H2,(H,8,14)/t2-,3-,4+,5-,6-/m1/s1
InChIKeyFLGBWUCOXWALPG-VFUOTHLCSA-N
MW204.18 g/mol
LogP-3.21
Rot. Bonds

About (5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-3-one

(5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-3-one (PubChem CID 10608241) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is (5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name(5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-3-one
PubChem CID10608241
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name(5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-3-one
SMILESO=C1NC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12
InChIInChI=1S/C7H12N2O5/c10-3-2-1-8-7(14)9(2)6(13)5(12)4(3)11/h2-6,10-13H,1H2,(H,8,14)/t2-,3-,4+,5-,6-/m1/s1
InChIKeyFLGBWUCOXWALPG-VFUOTHLCSA-N
XLogP-3.21
TPSA113.26 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-3.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-3-one?
The IUPAC name of (5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-3-one (CID 10608241) is (5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for (5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for (5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-3-one is O=C1NC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12.
What is the InChIKey of (5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-3-one?
The InChIKey is FLGBWUCOXWALPG-VFUOTHLCSA-N. The full InChI is InChI=1S/C7H12N2O5/c10-3-2-1-8-7(14)9(2)6(13)5(12)4(3)11/h2-6,10-13H,1H2,(H,8,14)/t2-,3-,4+,5-,6-/m1/s1.
What are the key properties of (5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-3-one?
(5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-3-one has a molecular weight of 204.18 g/mol, XLogP of -3.21, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 10608241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).