5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide

C9H9N5OS — CID 81341568

IUPAC5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide
SMILESCc1cc(Oc2cnc(C(N)=S)cn2)n[nH]1
InChIInChI=1S/C9H9N5OS/c1-5-2-7(14-13-5)15-8-4-11-6(3-12-8)9(10)16/h2-4H,1H3,(H2,10,16)(H,13,14)
InChIKeyDAIHIFYXHLQTGR-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.93
Rot. Bonds3

About 5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide

5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide (PubChem CID 81341568) has the molecular formula C9H9N5OS and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide
PubChem CID81341568
Molecular FormulaC9H9N5OS
Molecular Weight235.27 g/mol
Exact Mass235.05
IUPAC Name5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide
SMILESCc1cc(Oc2cnc(C(N)=S)cn2)n[nH]1
InChIInChI=1S/C9H9N5OS/c1-5-2-7(14-13-5)15-8-4-11-6(3-12-8)9(10)16/h2-4H,1H3,(H2,10,16)(H,13,14)
InChIKeyDAIHIFYXHLQTGR-UHFFFAOYSA-N
XLogP0.93
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide with MolForge

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

Launch Full Analysis

Related Compounds

6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-amine
CID 81341217
5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-amine
CID 81341317
2-Chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyrazine
CID 81341345
2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-2-amine
CID 81341397
[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methanamine
CID 81341412
[3-(2,5-Dimethylpyrazol-3-yl)oxypyrazin-2-yl]methanamine
CID 81341431
[3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methanamine
CID 81341455
methyl 6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carboxylate
CID 81341558
2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine
CID 81341582
N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine
CID 81341590
N-methyl-1-[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methanamine
CID 81341591
[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]hydrazine
CID 81341620

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide?
The IUPAC name of 5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide (CID 81341568) is 5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide.
What is the SMILES notation for 5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide?
The canonical SMILES for 5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide is Cc1cc(Oc2cnc(C(N)=S)cn2)n[nH]1.
What is the InChIKey of 5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide?
The InChIKey is DAIHIFYXHLQTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS/c1-5-2-7(14-13-5)15-8-4-11-6(3-12-8)9(10)16/h2-4H,1H3,(H2,10,16)(H,13,14).
What are the key properties of 5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide?
5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide has a molecular weight of 235.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide is sourced from PubChem (CID 81341568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).