3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide

C10H17N5S — CID 62684277

IUPAC3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide
SMILESCN(C)CCCNc1nccnc1C(N)=S
InChIInChI=1S/C10H17N5S/c1-15(2)7-3-4-13-10-8(9(11)16)12-5-6-14-10/h5-6H,3-4,7H2,1-2H3,(H2,11,16)(H,13,14)
InChIKeyHQODTCQGAAJEGZ-UHFFFAOYSA-N
MW239.35 g/mol
LogP0.47
Rot. Bonds6

About 3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide

3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide (PubChem CID 62684277) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide
PubChem CID62684277
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC Name3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide
SMILESCN(C)CCCNc1nccnc1C(N)=S
InChIInChI=1S/C10H17N5S/c1-15(2)7-3-4-13-10-8(9(11)16)12-5-6-14-10/h5-6H,3-4,7H2,1-2H3,(H2,11,16)(H,13,14)
InChIKeyHQODTCQGAAJEGZ-UHFFFAOYSA-N
XLogP0.47
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide
CID 62684601
3-[2-[2-(dimethylamino)ethoxy]ethylamino]pyrazine-2-carbothioamide
CID 114127823
3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide
CID 55102943
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 29033562
3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid
CID 62711461
3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide
CID 106339226
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrazine-2-carbothioamide
CID 114536969
3-[(3-methyl-2-propan-2-ylbutyl)amino]pyrazine-2-carbothioamide
CID 102906274
3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one
CID 114568070
3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carbothioamide
CID 55102991
3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide
CID 62683926
3-[4-(dimethylamino)anilino]pyrazine-2-carbothioamide
CID 55102849

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide?
The IUPAC name of 3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide (CID 62684277) is 3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide.
What is the SMILES notation for 3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide?
The canonical SMILES for 3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide is CN(C)CCCNc1nccnc1C(N)=S.
What is the InChIKey of 3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide?
The InChIKey is HQODTCQGAAJEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c1-15(2)7-3-4-13-10-8(9(11)16)12-5-6-14-10/h5-6H,3-4,7H2,1-2H3,(H2,11,16)(H,13,14).
What are the key properties of 3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide?
3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide has a molecular weight of 239.35 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide is sourced from PubChem (CID 62684277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).