N-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide

C8H12N4O2S — CID 113038116

IUPACN-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NC2CC2)nn1
InChIInChI=1S/C8H12N4O2S/c1-15(13,14)12-8-5-4-7(10-11-8)9-6-2-3-6/h4-6H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyFRSRNUWYAFXBHM-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.42
Rot. Bonds4

About N-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide

N-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide (PubChem CID 113038116) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is N-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide
PubChem CID113038116
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC NameN-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NC2CC2)nn1
InChIInChI=1S/C8H12N4O2S/c1-15(13,14)12-8-5-4-7(10-11-8)9-6-2-3-6/h4-6H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyFRSRNUWYAFXBHM-UHFFFAOYSA-N
XLogP0.42
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(4,4,4-trifluorobutan-2-yl)pyridazine-3,6-diamine
CID 105939708
N-ethyl-6-(4-((3,3,3-trifluoropropyl)sulfonyl)piperazin-1-yl)pyridazin-3-amine
CID 122350942
3-N,3-N-di(propan-2-yl)pyridazine-3,6-diamine
CID 20316802
N-[6-(1-Piperazinyl)-3-pyridazinyl]methanesulfonamide
CID 44721354
N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide
CID 57584469
3-N-propan-2-ylpyridazine-3,6-diamine
CID 59023967
N-Cyclopropyl-6-iodo-3-pyridazinamine
CID 59277362
3-N-propylpyridazine-3,6-diamine
CID 69230432
3-N-pentan-3-ylpyridazine-3,6-diamine
CID 69290764
1-[2-[(6-Aminopyridazin-3-yl)-methylamino]ethylsulfanyl]-3-methylurea
CID 88760694
N-cyclopropyl-6-methylsulfanylpyridazin-3-amine
CID 89470237
N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanesulfonamide
CID 89662388

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide?
The IUPAC name of N-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide (CID 113038116) is N-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide?
The canonical SMILES for N-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc(NC2CC2)nn1.
What is the InChIKey of N-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide?
The InChIKey is FRSRNUWYAFXBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-15(13,14)12-8-5-4-7(10-11-8)9-6-2-3-6/h4-6H,2-3H2,1H3,(H,9,10)(H,11,12).
What are the key properties of N-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide?
N-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide has a molecular weight of 228.28 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide is sourced from PubChem (CID 113038116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).