5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide

C10H13N7S — CID 104603193

IUPAC5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Sc2ncnn2C)nnc(C)c1C
InChIInChI=1S/C10H13N7S/c1-5-6(2)15-16-9(7(5)8(11)12)18-10-13-4-14-17(10)3/h4H,1-3H3,(H3,11,12)
InChIKeyAMOBVAFCIKMMBY-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.66
Rot. Bonds3

About 5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide

5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide (PubChem CID 104603193) has the molecular formula C10H13N7S and a molecular weight of 263.33 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide.

Molecular Properties

Compound Name5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide
PubChem CID104603193
Molecular FormulaC10H13N7S
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Sc2ncnn2C)nnc(C)c1C
InChIInChI=1S/C10H13N7S/c1-5-6(2)15-16-9(7(5)8(11)12)18-10-13-4-14-17(10)3/h4H,1-3H3,(H3,11,12)
InChIKeyAMOBVAFCIKMMBY-UHFFFAOYSA-N
XLogP0.66
TPSA106.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide 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 5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide?
The IUPAC name of 5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide (CID 104603193) is 5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide.
What is the SMILES notation for 5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide?
The canonical SMILES for 5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide is [H]/N=C(\N)c1c(Sc2ncnn2C)nnc(C)c1C.
What is the InChIKey of 5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide?
The InChIKey is AMOBVAFCIKMMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7S/c1-5-6(2)15-16-9(7(5)8(11)12)18-10-13-4-14-17(10)3/h4H,1-3H3,(H3,11,12).
What are the key properties of 5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide?
5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide has a molecular weight of 263.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide is sourced from PubChem (CID 104603193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).