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

C14H20N6OS — CID 126913684

IUPAC6-methyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(c3nc(C)ns3)CC2)n1
InChIInChI=1S/C14H20N6OS/c1-11-3-4-13(21)20(16-11)10-7-18-5-8-19(9-6-18)14-15-12(2)17-22-14/h3-4H,5-10H2,1-2H3
InChIKeyDKYQZXIWUMKNJQ-UHFFFAOYSA-N
MW320.42 g/mol
LogP0.53
Rot. Bonds4

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

6-methyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913684) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 6-methyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913684
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC Name6-methyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(c3nc(C)ns3)CC2)n1
InChIInChI=1S/C14H20N6OS/c1-11-3-4-13(21)20(16-11)10-7-18-5-8-19(9-6-18)14-15-12(2)17-22-14/h3-4H,5-10H2,1-2H3
InChIKeyDKYQZXIWUMKNJQ-UHFFFAOYSA-N
XLogP0.53
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913684) is 6-methyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one is Cc1ccc(=O)n(CCN2CCN(c3nc(C)ns3)CC2)n1.
What is the InChIKey of 6-methyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is DKYQZXIWUMKNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-11-3-4-13(21)20(16-11)10-7-18-5-8-19(9-6-18)14-15-12(2)17-22-14/h3-4H,5-10H2,1-2H3.
What are the key properties of 6-methyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
6-methyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 320.42 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).