4-(1,2-dihydropyrazin-6-yl)piperazine-1-carbothioamide

C9H15N5S — CID 126555624

IUPAC4-(1,2-dihydropyrazin-6-yl)piperazine-1-carbothioamide
SMILESNC(=S)N1CCN(C2=CN=CCN2)CC1
InChIInChI=1S/C9H15N5S/c10-9(15)14-5-3-13(4-6-14)8-7-11-1-2-12-8/h1,7,12H,2-6H2,(H2,10,15)
InChIKeySNOPBPHLXYASMK-UHFFFAOYSA-N
MW225.32 g/mol
LogP-0.68
Rot. Bonds1

About 4-(1,2-dihydropyrazin-6-yl)piperazine-1-carbothioamide

4-(1,2-dihydropyrazin-6-yl)piperazine-1-carbothioamide (PubChem CID 126555624) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-(1,2-dihydropyrazin-6-yl)piperazine-1-carbothioamide.

Molecular Properties

Compound Name4-(1,2-dihydropyrazin-6-yl)piperazine-1-carbothioamide
PubChem CID126555624
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name4-(1,2-dihydropyrazin-6-yl)piperazine-1-carbothioamide
SMILESNC(=S)N1CCN(C2=CN=CCN2)CC1
InChIInChI=1S/C9H15N5S/c10-9(15)14-5-3-13(4-6-14)8-7-11-1-2-12-8/h1,7,12H,2-6H2,(H2,10,15)
InChIKeySNOPBPHLXYASMK-UHFFFAOYSA-N
XLogP-0.68
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydropyrazin-6-yl)piperazine-1-carbothioamide?
The IUPAC name of 4-(1,2-dihydropyrazin-6-yl)piperazine-1-carbothioamide (CID 126555624) is 4-(1,2-dihydropyrazin-6-yl)piperazine-1-carbothioamide.
What is the SMILES notation for 4-(1,2-dihydropyrazin-6-yl)piperazine-1-carbothioamide?
The canonical SMILES for 4-(1,2-dihydropyrazin-6-yl)piperazine-1-carbothioamide is NC(=S)N1CCN(C2=CN=CCN2)CC1.
What is the InChIKey of 4-(1,2-dihydropyrazin-6-yl)piperazine-1-carbothioamide?
The InChIKey is SNOPBPHLXYASMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c10-9(15)14-5-3-13(4-6-14)8-7-11-1-2-12-8/h1,7,12H,2-6H2,(H2,10,15).
What are the key properties of 4-(1,2-dihydropyrazin-6-yl)piperazine-1-carbothioamide?
4-(1,2-dihydropyrazin-6-yl)piperazine-1-carbothioamide has a molecular weight of 225.32 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydropyrazin-6-yl)piperazine-1-carbothioamide is sourced from PubChem (CID 126555624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).