3-propan-2-ylsulfanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine

C17H23N5S — CID 71862583

IUPAC3-propan-2-ylsulfanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine
SMILESCC(C)Sc1ccc(N2CCN(Cc3ccccn3)CC2)nn1
InChIInChI=1S/C17H23N5S/c1-14(2)23-17-7-6-16(19-20-17)22-11-9-21(10-12-22)13-15-5-3-4-8-18-15/h3-8,14H,9-13H2,1-2H3
InChIKeyASJGMTQSHKXCLV-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.69
Rot. Bonds5

About 3-propan-2-ylsulfanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine

3-propan-2-ylsulfanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine (PubChem CID 71862583) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-propan-2-ylsulfanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-propan-2-ylsulfanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine
PubChem CID71862583
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Name3-propan-2-ylsulfanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine
SMILESCC(C)Sc1ccc(N2CCN(Cc3ccccn3)CC2)nn1
InChIInChI=1S/C17H23N5S/c1-14(2)23-17-7-6-16(19-20-17)22-11-9-21(10-12-22)13-15-5-3-4-8-18-15/h3-8,14H,9-13H2,1-2H3
InChIKeyASJGMTQSHKXCLV-UHFFFAOYSA-N
XLogP2.69
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-Pyridinyl)-6-(2-pyridinylmethylthio)pyridazine
CID 7162438
2-(4-Piperidin-1-ylpiperidin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
CID 53317858
3-(Ethylthio)-6-(pyridin-2-yl)pyridazine
CID 7207299
1-Piperidin-1-yl-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone
CID 7207377
3-(4-(Methylsulfonyl)piperazin-1-yl)-6-(pyridin-2-yl)pyridazine
CID 25283779
3-Methylsulfanyl-5-(3-pyridin-2-ylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
CID 155558647
3-[4-(Pyridine-3-sulfonyl)piperazin-1-yl]-6-(thiophen-2-yl)pyridazine
CID 25283848
3-(Tert-butylsulfonyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine
CID 27373823
3-(Propylsulfonyl)-6-(4-(pyridin-2-yl)piperazin-1-
CID 30849342
1-(6-methylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine
CID 56780921
N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 56781011
N-methyl-1-(6-methylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine
CID 72043813

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylsulfanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-propan-2-ylsulfanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine (CID 71862583) is 3-propan-2-ylsulfanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-propan-2-ylsulfanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-propan-2-ylsulfanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine is CC(C)Sc1ccc(N2CCN(Cc3ccccn3)CC2)nn1.
What is the InChIKey of 3-propan-2-ylsulfanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine?
The InChIKey is ASJGMTQSHKXCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c1-14(2)23-17-7-6-16(19-20-17)22-11-9-21(10-12-22)13-15-5-3-4-8-18-15/h3-8,14H,9-13H2,1-2H3.
What are the key properties of 3-propan-2-ylsulfanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine?
3-propan-2-ylsulfanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine has a molecular weight of 329.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 71862583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).