3-pyrrol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazine

C15H18F3N5O2S — CID 122341744

IUPAC3-pyrrol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazine
SMILESO=S(=O)(CCC(F)(F)F)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C15H18F3N5O2S/c16-15(17,18)5-12-26(24,25)23-10-8-22(9-11-23)14-4-3-13(19-20-14)21-6-1-2-7-21/h1-4,6-7H,5,8-12H2
InChIKeyCYBSIIRICGKTAS-UHFFFAOYSA-N
MW389.40 g/mol
LogP1.67
Rot. Bonds5

About 3-pyrrol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazine

3-pyrrol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazine (PubChem CID 122341744) has the molecular formula C15H18F3N5O2S and a molecular weight of 389.40 g/mol. Its IUPAC name is 3-pyrrol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-pyrrol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazine
PubChem CID122341744
Molecular FormulaC15H18F3N5O2S
Molecular Weight389.40 g/mol
Exact Mass389.11
IUPAC Name3-pyrrol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazine
SMILESO=S(=O)(CCC(F)(F)F)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C15H18F3N5O2S/c16-15(17,18)5-12-26(24,25)23-10-8-22(9-11-23)14-4-3-13(19-20-14)21-6-1-2-7-21/h1-4,6-7H,5,8-12H2
InChIKeyCYBSIIRICGKTAS-UHFFFAOYSA-N
XLogP1.67
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-sulfonamide
CID 71799944
3-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyridazine
CID 122341720
2-methyl-4-(trifluoromethyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine
CID 91631653
1-[6-(4-butylsulfonylpiperazin-1-yl)pyridazin-3-yl]azepane
CID 121053116
4-methyl-2-piperidin-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine
CID 122339903
3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine
CID 122341489
3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine
CID 121038125
3-(4-butylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine
CID 121058587
N-methyl-N-[2-oxo-2-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide
CID 122341605
2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine
CID 71800080
3-pyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazine
CID 122334505
3-piperidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazine
CID 122334794

Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-pyrrol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazine (CID 122341744) is 3-pyrrol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-pyrrol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-pyrrol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazine is O=S(=O)(CCC(F)(F)F)N1CCN(c2ccc(-n3cccc3)nn2)CC1.
What is the InChIKey of 3-pyrrol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazine?
The InChIKey is CYBSIIRICGKTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2S/c16-15(17,18)5-12-26(24,25)23-10-8-22(9-11-23)14-4-3-13(19-20-14)21-6-1-2-7-21/h1-4,6-7H,5,8-12H2.
What are the key properties of 3-pyrrol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazine?
3-pyrrol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazine has a molecular weight of 389.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 122341744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).