6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile

C7H7N3S — CID 5373995

IUPAC6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESCc1cc(N)[nH]c(=S)c1C#N
InChIInChI=1S/C7H7N3S/c1-4-2-6(9)10-7(11)5(4)3-8/h2H,1H3,(H3,9,10,11)
InChIKeyFOWBBXNPGJRWLJ-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.51
Rot. Bonds

About 6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile

6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile (PubChem CID 5373995) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
PubChem CID5373995
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESCc1cc(N)[nH]c(=S)c1C#N
InChIInChI=1S/C7H7N3S/c1-4-2-6(9)10-7(11)5(4)3-8/h2H,1H3,(H3,9,10,11)
InChIKeyFOWBBXNPGJRWLJ-UHFFFAOYSA-N
XLogP1.51
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile (CID 5373995) is 6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile is Cc1cc(N)[nH]c(=S)c1C#N.
What is the InChIKey of 6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The InChIKey is FOWBBXNPGJRWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-4-2-6(9)10-7(11)5(4)3-8/h2H,1H3,(H3,9,10,11).
What are the key properties of 6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile has a molecular weight of 165.22 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 5373995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).