5-methyl-3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]pyridazine

C14H24N4O3S — CID 139019827

IUPAC5-methyl-3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]pyridazine
SMILESCc1cnnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)c1
InChIInChI=1S/C14H24N4O3S/c1-12(2)21-8-9-22(19,20)18-6-4-17(5-7-18)14-10-13(3)11-15-16-14/h10-12H,4-9H2,1-3H3
InChIKeyBHYXMAITEAHNLX-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.66
Rot. Bonds6

About 5-methyl-3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]pyridazine

5-methyl-3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]pyridazine (PubChem CID 139019827) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-methyl-3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name5-methyl-3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]pyridazine
PubChem CID139019827
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name5-methyl-3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]pyridazine
SMILESCc1cnnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)c1
InChIInChI=1S/C14H24N4O3S/c1-12(2)21-8-9-22(19,20)18-6-4-17(5-7-18)14-10-13(3)11-15-16-14/h10-12H,4-9H2,1-3H3
InChIKeyBHYXMAITEAHNLX-UHFFFAOYSA-N
XLogP0.66
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]pyridazine?
The IUPAC name of 5-methyl-3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]pyridazine (CID 139019827) is 5-methyl-3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 5-methyl-3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 5-methyl-3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]pyridazine is Cc1cnnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)c1.
What is the InChIKey of 5-methyl-3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]pyridazine?
The InChIKey is BHYXMAITEAHNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-12(2)21-8-9-22(19,20)18-6-4-17(5-7-18)14-10-13(3)11-15-16-14/h10-12H,4-9H2,1-3H3.
What are the key properties of 5-methyl-3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]pyridazine?
5-methyl-3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]pyridazine has a molecular weight of 328.44 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 139019827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).