3,4-dimethyl-6-sulfanylidene-1H-pyridazine-5-carboxamide

C7H9N3OS — CID 28819602

IUPAC3,4-dimethyl-6-sulfanylidene-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=S)c(C(N)=O)c1C
InChIInChI=1S/C7H9N3OS/c1-3-4(2)9-10-7(12)5(3)6(8)11/h1-2H3,(H2,8,11)(H,10,12)
InChIKeyRMNUYSDEMPWTHN-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.85
Rot. Bonds1

About 3,4-dimethyl-6-sulfanylidene-1H-pyridazine-5-carboxamide

3,4-dimethyl-6-sulfanylidene-1H-pyridazine-5-carboxamide (PubChem CID 28819602) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 3,4-dimethyl-6-sulfanylidene-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-6-sulfanylidene-1H-pyridazine-5-carboxamide
PubChem CID28819602
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name3,4-dimethyl-6-sulfanylidene-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=S)c(C(N)=O)c1C
InChIInChI=1S/C7H9N3OS/c1-3-4(2)9-10-7(12)5(3)6(8)11/h1-2H3,(H2,8,11)(H,10,12)
InChIKeyRMNUYSDEMPWTHN-UHFFFAOYSA-N
XLogP0.85
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
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 3,4-dimethyl-6-sulfanylidene-1H-pyridazine-5-carboxamide?
The IUPAC name of 3,4-dimethyl-6-sulfanylidene-1H-pyridazine-5-carboxamide (CID 28819602) is 3,4-dimethyl-6-sulfanylidene-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3,4-dimethyl-6-sulfanylidene-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3,4-dimethyl-6-sulfanylidene-1H-pyridazine-5-carboxamide is Cc1n[nH]c(=S)c(C(N)=O)c1C.
What is the InChIKey of 3,4-dimethyl-6-sulfanylidene-1H-pyridazine-5-carboxamide?
The InChIKey is RMNUYSDEMPWTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-3-4(2)9-10-7(12)5(3)6(8)11/h1-2H3,(H2,8,11)(H,10,12).
What are the key properties of 3,4-dimethyl-6-sulfanylidene-1H-pyridazine-5-carboxamide?
3,4-dimethyl-6-sulfanylidene-1H-pyridazine-5-carboxamide has a molecular weight of 183.24 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-sulfanylidene-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 28819602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).