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

C17H26N6OS — CID 126914063

IUPAC6-tert-butyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1nsc(N2CCN(CCn3nc(C(C)(C)C)ccc3=O)CC2)n1
InChIInChI=1S/C17H26N6OS/c1-13-18-16(25-20-13)22-10-7-21(8-11-22)9-12-23-15(24)6-5-14(19-23)17(2,3)4/h5-6H,7-12H2,1-4H3
InChIKeyWNYFJYUHVRKPKJ-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.52
Rot. Bonds4

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

6-tert-butyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126914063) has the molecular formula C17H26N6OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 6-tert-butyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126914063
Molecular FormulaC17H26N6OS
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC Name6-tert-butyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1nsc(N2CCN(CCn3nc(C(C)(C)C)ccc3=O)CC2)n1
InChIInChI=1S/C17H26N6OS/c1-13-18-16(25-20-13)22-10-7-21(8-11-22)9-12-23-15(24)6-5-14(19-23)17(2,3)4/h5-6H,7-12H2,1-4H3
InChIKeyWNYFJYUHVRKPKJ-UHFFFAOYSA-N
XLogP1.52
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126914063) is 6-tert-butyl-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-tert-butyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one is Cc1nsc(N2CCN(CCn3nc(C(C)(C)C)ccc3=O)CC2)n1.
What is the InChIKey of 6-tert-butyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is WNYFJYUHVRKPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6OS/c1-13-18-16(25-20-13)22-10-7-21(8-11-22)9-12-23-15(24)6-5-14(19-23)17(2,3)4/h5-6H,7-12H2,1-4H3.
What are the key properties of 6-tert-butyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
6-tert-butyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 362.50 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126914063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).