2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol

C17H25N7O4S — CID 122336845

IUPAC2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
SMILESO=S(=O)(c1cnoc1)N1CCN(c2ccc(N3CCN(CCO)CC3)nn2)CC1
InChIInChI=1S/C17H25N7O4S/c25-12-11-21-3-5-22(6-4-21)16-1-2-17(20-19-16)23-7-9-24(10-8-23)29(26,27)15-13-18-28-14-15/h1-2,13-14,25H,3-12H2
InChIKeyUOKNVOLYRZQASG-UHFFFAOYSA-N
MW423.50 g/mol
LogP-0.91
Rot. Bonds6

About 2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol

2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol (PubChem CID 122336845) has the molecular formula C17H25N7O4S and a molecular weight of 423.50 g/mol. Its IUPAC name is 2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
PubChem CID122336845
Molecular FormulaC17H25N7O4S
Molecular Weight423.50 g/mol
Exact Mass423.17
IUPAC Name2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
SMILESO=S(=O)(c1cnoc1)N1CCN(c2ccc(N3CCN(CCO)CC3)nn2)CC1
InChIInChI=1S/C17H25N7O4S/c25-12-11-21-3-5-22(6-4-21)16-1-2-17(20-19-16)23-7-9-24(10-8-23)29(26,27)15-13-18-28-14-15/h1-2,13-14,25H,3-12H2
InChIKeyUOKNVOLYRZQASG-UHFFFAOYSA-N
XLogP-0.91
TPSA119.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol with MolForge

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Related Compounds

2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121052957
2-[4-[6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 122336864
2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121053278
2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121053269
2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 168512153
cyclopentyl-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336576
2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 171701163
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 7287685
[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122336726
N-[2-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122336706
4-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 122339651
4-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carbonyl]cyclohexan-1-one
CID 122336748

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol (CID 122336845) is 2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol is O=S(=O)(c1cnoc1)N1CCN(c2ccc(N3CCN(CCO)CC3)nn2)CC1.
What is the InChIKey of 2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol?
The InChIKey is UOKNVOLYRZQASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O4S/c25-12-11-21-3-5-22(6-4-21)16-1-2-17(20-19-16)23-7-9-24(10-8-23)29(26,27)15-13-18-28-14-15/h1-2,13-14,25H,3-12H2.
What are the key properties of 2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol?
2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol has a molecular weight of 423.50 g/mol, XLogP of -0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 122336845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).