(6S,7S,8S)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

C8H12N2O3 — CID 11528467

IUPAC(6S,7S,8S)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESCc1cnc2n1C[C@H](O)[C@H](O)[C@H]2O
InChIInChI=1S/C8H12N2O3/c1-4-2-9-8-7(13)6(12)5(11)3-10(4)8/h2,5-7,11-13H,3H2,1H3/t5-,6-,7+/m0/s1
InChIKeyNPCGLAGEDPKUPK-LYFYHCNISA-N
MW184.19 g/mol
LogP-1.04
Rot. Bonds

About (6S,7S,8S)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

(6S,7S,8S)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (PubChem CID 11528467) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is (6S,7S,8S)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.

Molecular Properties

Compound Name(6S,7S,8S)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
PubChem CID11528467
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name(6S,7S,8S)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESCc1cnc2n1C[C@H](O)[C@H](O)[C@H]2O
InChIInChI=1S/C8H12N2O3/c1-4-2-9-8-7(13)6(12)5(11)3-10(4)8/h2,5-7,11-13H,3H2,1H3/t5-,6-,7+/m0/s1
InChIKeyNPCGLAGEDPKUPK-LYFYHCNISA-N
XLogP-1.04
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (6S,7S,8S)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol with MolForge

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Related Compounds

(6S,7S,8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 10464728
(5R,6R,7S,8S)-5-Hydroxymethyl-2-n-octyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 11472439
Xylose-Derived Imidazole
CID 445615
5-(Hydroxymethyl)-2-octyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 72974915
2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}ethan-1-ol
CID 67473277
(5H,6H,7H,8H-imidazo(1,2-a)pyridin-2-yl)methanol
CID 57690076
{5H,6H,8H-imidazo[2,1-c][1,4]oxazin-3-yl}methanol
CID 132363509
(3S*,4R*)-1-[(1-cyclopentyl-1H-imidazol-5-yl)methyl]-4-methylpiperidine-3,4-diol
CID 72855191
(6R,7S,8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 10997463
3-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ol
CID 105458338
3-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 105458339
1-Ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol
CID 128966847

Frequently Asked Questions

What is the IUPAC name of (6S,7S,8S)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The IUPAC name of (6S,7S,8S)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (CID 11528467) is (6S,7S,8S)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.
What is the SMILES notation for (6S,7S,8S)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The canonical SMILES for (6S,7S,8S)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is Cc1cnc2n1C[C@H](O)[C@H](O)[C@H]2O.
What is the InChIKey of (6S,7S,8S)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The InChIKey is NPCGLAGEDPKUPK-LYFYHCNISA-N. The full InChI is InChI=1S/C8H12N2O3/c1-4-2-9-8-7(13)6(12)5(11)3-10(4)8/h2,5-7,11-13H,3H2,1H3/t5-,6-,7+/m0/s1.
What are the key properties of (6S,7S,8S)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
(6S,7S,8S)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol has a molecular weight of 184.19 g/mol, XLogP of -1.04, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,8S)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is sourced from PubChem (CID 11528467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).