3-amino-6-(cyclopropylamino)-1H-pyridine-2-thione

C8H11N3S — CID 69123038

IUPAC3-amino-6-(cyclopropylamino)-1H-pyridine-2-thione
SMILESNc1ccc(NC2CC2)[nH]c1=S
InChIInChI=1S/C8H11N3S/c9-6-3-4-7(11-8(6)12)10-5-1-2-5/h3-5H,1-2,9H2,(H2,10,11,12)
InChIKeyWFPFXPSUWHRZRI-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.90
Rot. Bonds2

About 3-amino-6-(cyclopropylamino)-1H-pyridine-2-thione

3-amino-6-(cyclopropylamino)-1H-pyridine-2-thione (PubChem CID 69123038) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 3-amino-6-(cyclopropylamino)-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-amino-6-(cyclopropylamino)-1H-pyridine-2-thione
PubChem CID69123038
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name3-amino-6-(cyclopropylamino)-1H-pyridine-2-thione
SMILESNc1ccc(NC2CC2)[nH]c1=S
InChIInChI=1S/C8H11N3S/c9-6-3-4-7(11-8(6)12)10-5-1-2-5/h3-5H,1-2,9H2,(H2,10,11,12)
InChIKeyWFPFXPSUWHRZRI-UHFFFAOYSA-N
XLogP1.90
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3-amino-6-(cyclopropylamino)-1H-pyridine-2-thione?
The IUPAC name of 3-amino-6-(cyclopropylamino)-1H-pyridine-2-thione (CID 69123038) is 3-amino-6-(cyclopropylamino)-1H-pyridine-2-thione.
What is the SMILES notation for 3-amino-6-(cyclopropylamino)-1H-pyridine-2-thione?
The canonical SMILES for 3-amino-6-(cyclopropylamino)-1H-pyridine-2-thione is Nc1ccc(NC2CC2)[nH]c1=S.
What is the InChIKey of 3-amino-6-(cyclopropylamino)-1H-pyridine-2-thione?
The InChIKey is WFPFXPSUWHRZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c9-6-3-4-7(11-8(6)12)10-5-1-2-5/h3-5H,1-2,9H2,(H2,10,11,12).
What are the key properties of 3-amino-6-(cyclopropylamino)-1H-pyridine-2-thione?
3-amino-6-(cyclopropylamino)-1H-pyridine-2-thione has a molecular weight of 181.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(cyclopropylamino)-1H-pyridine-2-thione is sourced from PubChem (CID 69123038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).