3-(4-propan-2-ylpiperazin-1-yl)-6-[4-[(E)-prop-1-enyl]sulfonylphenyl]pyridazine

C20H26N4O2S — CID 142991487

IUPAC3-(4-propan-2-ylpiperazin-1-yl)-6-[4-[(E)-prop-1-enyl]sulfonylphenyl]pyridazine
SMILESC/C=C/S(=O)(=O)c1ccc(-c2ccc(N3CCN(C(C)C)CC3)nn2)cc1
InChIInChI=1S/C20H26N4O2S/c1-4-15-27(25,26)18-7-5-17(6-8-18)19-9-10-20(22-21-19)24-13-11-23(12-14-24)16(2)3/h4-10,15-16H,11-14H2,1-3H3/b15-4+
InChIKeyAOVQXPXCQCPIGO-SYZQJQIISA-N
MW386.52 g/mol
LogP2.98
Rot. Bonds5

About 3-(4-propan-2-ylpiperazin-1-yl)-6-[4-[(E)-prop-1-enyl]sulfonylphenyl]pyridazine

3-(4-propan-2-ylpiperazin-1-yl)-6-[4-[(E)-prop-1-enyl]sulfonylphenyl]pyridazine (PubChem CID 142991487) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-(4-propan-2-ylpiperazin-1-yl)-6-[4-[(E)-prop-1-enyl]sulfonylphenyl]pyridazine.

Molecular Properties

Compound Name3-(4-propan-2-ylpiperazin-1-yl)-6-[4-[(E)-prop-1-enyl]sulfonylphenyl]pyridazine
PubChem CID142991487
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name3-(4-propan-2-ylpiperazin-1-yl)-6-[4-[(E)-prop-1-enyl]sulfonylphenyl]pyridazine
SMILESC/C=C/S(=O)(=O)c1ccc(-c2ccc(N3CCN(C(C)C)CC3)nn2)cc1
InChIInChI=1S/C20H26N4O2S/c1-4-15-27(25,26)18-7-5-17(6-8-18)19-9-10-20(22-21-19)24-13-11-23(12-14-24)16(2)3/h4-10,15-16H,11-14H2,1-3H3/b15-4+
InChIKeyAOVQXPXCQCPIGO-SYZQJQIISA-N
XLogP2.98
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
CID 58006735
3-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
CID 20823118
3-(4-ethylsulfonylphenyl)-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine;dihydrochloride
CID 141230328
3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine
CID 74237145
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 30596210
N,N-dimethyl-4-[6-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-yl]benzenesulfonamide;dihydrochloride
CID 141230356
3,4-dimethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 16810402
3-(4-pentan-3-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine
CID 70961370
3-[3,5-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)sulfonylpyrazol-1-yl]-6-phenylpyridazine
CID 50845148
3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
CID 42110748
N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide
CID 133287682
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 101436801

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpiperazin-1-yl)-6-[4-[(E)-prop-1-enyl]sulfonylphenyl]pyridazine?
The IUPAC name of 3-(4-propan-2-ylpiperazin-1-yl)-6-[4-[(E)-prop-1-enyl]sulfonylphenyl]pyridazine (CID 142991487) is 3-(4-propan-2-ylpiperazin-1-yl)-6-[4-[(E)-prop-1-enyl]sulfonylphenyl]pyridazine.
What is the SMILES notation for 3-(4-propan-2-ylpiperazin-1-yl)-6-[4-[(E)-prop-1-enyl]sulfonylphenyl]pyridazine?
The canonical SMILES for 3-(4-propan-2-ylpiperazin-1-yl)-6-[4-[(E)-prop-1-enyl]sulfonylphenyl]pyridazine is C/C=C/S(=O)(=O)c1ccc(-c2ccc(N3CCN(C(C)C)CC3)nn2)cc1.
What is the InChIKey of 3-(4-propan-2-ylpiperazin-1-yl)-6-[4-[(E)-prop-1-enyl]sulfonylphenyl]pyridazine?
The InChIKey is AOVQXPXCQCPIGO-SYZQJQIISA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-4-15-27(25,26)18-7-5-17(6-8-18)19-9-10-20(22-21-19)24-13-11-23(12-14-24)16(2)3/h4-10,15-16H,11-14H2,1-3H3/b15-4+.
What are the key properties of 3-(4-propan-2-ylpiperazin-1-yl)-6-[4-[(E)-prop-1-enyl]sulfonylphenyl]pyridazine?
3-(4-propan-2-ylpiperazin-1-yl)-6-[4-[(E)-prop-1-enyl]sulfonylphenyl]pyridazine has a molecular weight of 386.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpiperazin-1-yl)-6-[4-[(E)-prop-1-enyl]sulfonylphenyl]pyridazine is sourced from PubChem (CID 142991487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).