3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide

C10H12N6S — CID 114000749

IUPAC3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Sc2ncc[nH]2)nnc(C)c1C
InChIInChI=1S/C10H12N6S/c1-5-6(2)15-16-9(7(5)8(11)12)17-10-13-3-4-14-10/h3-4H,1-2H3,(H3,11,12)(H,13,14)
InChIKeyCARZUIQAXKROHK-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.25
Rot. Bonds3

About 3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide

3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 114000749) has the molecular formula C10H12N6S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID114000749
Molecular FormulaC10H12N6S
Molecular Weight248.31 g/mol
Exact Mass248.08
IUPAC Name3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Sc2ncc[nH]2)nnc(C)c1C
InChIInChI=1S/C10H12N6S/c1-5-6(2)15-16-9(7(5)8(11)12)17-10-13-3-4-14-10/h3-4H,1-2H3,(H3,11,12)(H,13,14)
InChIKeyCARZUIQAXKROHK-UHFFFAOYSA-N
XLogP1.25
TPSA104.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide
CID 104603193
3-(3-bromophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide
CID 62804242
3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide
CID 61091978
3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090678
5,6-diethyl-3-(1H-imidazol-2-ylsulfanyl)pyridazine-4-carboxylic acid
CID 107782628
5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide
CID 106494553
3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide
CID 61092166
2-(1H-imidazol-2-ylsulfanyl)butanimidamide
CID 107780455
3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
CID 61089736
3-chloro-4-(1H-imidazol-2-ylsulfanylmethyl)benzenecarboximidamide
CID 114000760
3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide
CID 136778508
5,6-dimethyl-3-pyrimidin-2-ylsulfanylpyridazine-4-carboxylic acid
CID 62701271

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide (CID 114000749) is 3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(Sc2ncc[nH]2)nnc(C)c1C.
What is the InChIKey of 3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is CARZUIQAXKROHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S/c1-5-6(2)15-16-9(7(5)8(11)12)17-10-13-3-4-14-10/h3-4H,1-2H3,(H3,11,12)(H,13,14).
What are the key properties of 3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide?
3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 248.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 114000749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).