2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one

C17H24N6OS — CID 126913801

IUPAC2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(c3nc(C4CCC4)ns3)CC2)n1
InChIInChI=1S/C17H24N6OS/c1-13-5-6-15(24)23(19-13)12-9-21-7-10-22(11-8-21)17-18-16(20-25-17)14-3-2-4-14/h5-6,14H,2-4,7-12H2,1H3
InChIKeyRZSFZIDWAXTUDM-UHFFFAOYSA-N
MW360.49 g/mol
LogP1.49
Rot. Bonds5

About 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one

2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one (PubChem CID 126913801) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
PubChem CID126913801
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(c3nc(C4CCC4)ns3)CC2)n1
InChIInChI=1S/C17H24N6OS/c1-13-5-6-15(24)23(19-13)12-9-21-7-10-22(11-8-21)17-18-16(20-25-17)14-3-2-4-14/h5-6,14H,2-4,7-12H2,1H3
InChIKeyRZSFZIDWAXTUDM-UHFFFAOYSA-N
XLogP1.49
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one (CID 126913801) is 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCN2CCN(c3nc(C4CCC4)ns3)CC2)n1.
What is the InChIKey of 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The InChIKey is RZSFZIDWAXTUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-13-5-6-15(24)23(19-13)12-9-21-7-10-22(11-8-21)17-18-16(20-25-17)14-3-2-4-14/h5-6,14H,2-4,7-12H2,1H3.
What are the key properties of 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one has a molecular weight of 360.49 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126913801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).