6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine

C18H21N7O3S — CID 42112005

IUPAC6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1
InChIInChI=1S/C18H21N7O3S/c1-13-18(14(2)28-23-13)29(26,27)25-11-9-24(10-12-25)17-4-3-16(21-22-17)20-15-5-7-19-8-6-15/h3-8H,9-12H2,1-2H3,(H,19,20,21)
InChIKeyYFPDYKNDHDDHKO-UHFFFAOYSA-N
MW415.48 g/mol
LogP1.73
Rot. Bonds5

About 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine

6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine (PubChem CID 42112005) has the molecular formula C18H21N7O3S and a molecular weight of 415.48 g/mol. Its IUPAC name is 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
PubChem CID42112005
Molecular FormulaC18H21N7O3S
Molecular Weight415.48 g/mol
Exact Mass415.14
IUPAC Name6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1
InChIInChI=1S/C18H21N7O3S/c1-13-18(14(2)28-23-13)29(26,27)25-11-9-24(10-12-25)17-4-3-16(21-22-17)20-15-5-7-19-8-6-15/h3-8H,9-12H2,1-2H3,(H,19,20,21)
InChIKeyYFPDYKNDHDDHKO-UHFFFAOYSA-N
XLogP1.73
TPSA117.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine with MolForge

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Related Compounds

3,5-dimethyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 121053065
3,5-dimethyl-4-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 121053093
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 50947847
3,5-dimethyl-4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,2-oxazole
CID 133432353
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122347919
6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 122348014
6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-4-ylpyridazin-3-amine
CID 122348021
N-(4-methylphenyl)-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 26843158
6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 121065264
N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 44827469
4-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 133358884
6-(4-ethylsulfonylpiperazin-1-yl)-N-(4-methylphenyl)pyridazin-3-amine
CID 7178092

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine?
The IUPAC name of 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine (CID 42112005) is 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine.
What is the SMILES notation for 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine?
The canonical SMILES for 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine is Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1.
What is the InChIKey of 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine?
The InChIKey is YFPDYKNDHDDHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3S/c1-13-18(14(2)28-23-13)29(26,27)25-11-9-24(10-12-25)17-4-3-16(21-22-17)20-15-5-7-19-8-6-15/h3-8H,9-12H2,1-2H3,(H,19,20,21).
What are the key properties of 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine?
6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine has a molecular weight of 415.48 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine is sourced from PubChem (CID 42112005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).