3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine

C18H20N6O6S — CID 122279758

IUPAC3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H20N6O6S/c1-12-16(23(25)26)10-14(11-17(12)24(27)28)31(29,30)22-8-6-21(7-9-22)18-5-4-15(19-20-18)13-2-3-13/h4-5,10-11,13H,2-3,6-9H2,1H3
InChIKeyDVRWSCCCFUICCR-UHFFFAOYSA-N
MW448.46 g/mol
LogP1.99
Rot. Bonds6

About 3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine

3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 122279758) has the molecular formula C18H20N6O6S and a molecular weight of 448.46 g/mol. Its IUPAC name is 3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID122279758
Molecular FormulaC18H20N6O6S
Molecular Weight448.46 g/mol
Exact Mass448.12
IUPAC Name3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H20N6O6S/c1-12-16(23(25)26)10-14(11-17(12)24(27)28)31(29,30)22-8-6-21(7-9-22)18-5-4-15(19-20-18)13-2-3-13/h4-5,10-11,13H,2-3,6-9H2,1H3
InChIKeyDVRWSCCCFUICCR-UHFFFAOYSA-N
XLogP1.99
TPSA152.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-ethylpiperazin-1-yl)-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121038128
3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine
CID 122279803
3-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine
CID 122279749
3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279744
1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 122279785
3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 119105960
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121072521
4-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 121072515
3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279772
(5-chloro-2-nitrophenyl)-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279281
3-(2-methylpiperidin-1-yl)-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 18584513
1-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylic acid
CID 45290860

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine (CID 122279758) is 3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine is Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1[N+](=O)[O-].
What is the InChIKey of 3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is DVRWSCCCFUICCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O6S/c1-12-16(23(25)26)10-14(11-17(12)24(27)28)31(29,30)22-8-6-21(7-9-22)18-5-4-15(19-20-18)13-2-3-13/h4-5,10-11,13H,2-3,6-9H2,1H3.
What are the key properties of 3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine?
3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 448.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 122279758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).