3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one

C11H11N5O2S — CID 63835596

IUPAC3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
SMILESCn1c(Sc2nc3ccccn3c2CO)n[nH]c1=O
InChIInChI=1S/C11H11N5O2S/c1-15-10(18)13-14-11(15)19-9-7(6-17)16-5-3-2-4-8(16)12-9/h2-5,17H,6H2,1H3,(H,13,18)
InChIKeyZYGCNEVLFQEDOW-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.40
Rot. Bonds3

About 3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one

3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 63835596) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID63835596
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Name3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
SMILESCn1c(Sc2nc3ccccn3c2CO)n[nH]c1=O
InChIInChI=1S/C11H11N5O2S/c1-15-10(18)13-14-11(15)19-9-7(6-17)16-5-3-2-4-8(16)12-9/h2-5,17H,6H2,1H3,(H,13,18)
InChIKeyZYGCNEVLFQEDOW-UHFFFAOYSA-N
XLogP0.40
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one with MolForge

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Related Compounds

3-[3-(hydroxymethyl)quinolin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 63835072
[2-(2-bromophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol
CID 63813270
[2-(2-fluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol
CID 63813667
[2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol
CID 63812601
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 102926184
(2-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol
CID 63835259
3-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 63808104
methyl 3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylpropanoate
CID 63835303
(2-cyclohexylsulfanylimidazo[1,2-a]pyridin-3-yl)methanol
CID 63835845
[2-(oxetan-3-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 79333805
3-[3-fluoro-2-(hydroxymethyl)phenyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 114066456
[2-(cyclopentylmethylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 63835629

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one (CID 63835596) is 3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one is Cn1c(Sc2nc3ccccn3c2CO)n[nH]c1=O.
What is the InChIKey of 3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is ZYGCNEVLFQEDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c1-15-10(18)13-14-11(15)19-9-7(6-17)16-5-3-2-4-8(16)12-9/h2-5,17H,6H2,1H3,(H,13,18).
What are the key properties of 3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 277.31 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 63835596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).