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

C16H22N6OS — CID 126913816

IUPAC2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(c3nc(C4CC4)ns3)CC2)n1
InChIInChI=1S/C16H22N6OS/c1-12-2-5-14(23)22(18-12)11-8-20-6-9-21(10-7-20)16-17-15(19-24-16)13-3-4-13/h2,5,13H,3-4,6-11H2,1H3
InChIKeyPIYVVDZHWOFTFI-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.10
Rot. Bonds5

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

2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one (PubChem CID 126913816) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
PubChem CID126913816
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(c3nc(C4CC4)ns3)CC2)n1
InChIInChI=1S/C16H22N6OS/c1-12-2-5-14(23)22(18-12)11-8-20-6-9-21(10-7-20)16-17-15(19-24-16)13-3-4-13/h2,5,13H,3-4,6-11H2,1H3
InChIKeyPIYVVDZHWOFTFI-UHFFFAOYSA-N
XLogP1.10
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.10
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-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one (CID 126913816) is 2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCN2CCN(c3nc(C4CC4)ns3)CC2)n1.
What is the InChIKey of 2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The InChIKey is PIYVVDZHWOFTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-12-2-5-14(23)22(18-12)11-8-20-6-9-21(10-7-20)16-17-15(19-24-16)13-3-4-13/h2,5,13H,3-4,6-11H2,1H3.
What are the key properties of 2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one has a molecular weight of 346.46 g/mol, XLogP of 1.10, 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-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126913816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).