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

C19H31N7OS — CID 126914088

IUPAC6-tert-butyl-2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCN(C)c1nc(CN2CCN(CCn3nc(C(C)(C)C)ccc3=O)CC2)ns1
InChIInChI=1S/C19H31N7OS/c1-19(2,3)15-6-7-17(27)26(21-15)13-12-24-8-10-25(11-9-24)14-16-20-18(23(4)5)28-22-16/h6-7H,8-14H2,1-5H3
InChIKeyMWVGBDNTPOFDQO-UHFFFAOYSA-N
MW405.57 g/mol
LogP1.28
Rot. Bonds6

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

6-tert-butyl-2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126914088) has the molecular formula C19H31N7OS and a molecular weight of 405.57 g/mol. Its IUPAC name is 6-tert-butyl-2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126914088
Molecular FormulaC19H31N7OS
Molecular Weight405.57 g/mol
Exact Mass405.23
IUPAC Name6-tert-butyl-2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCN(C)c1nc(CN2CCN(CCn3nc(C(C)(C)C)ccc3=O)CC2)ns1
InChIInChI=1S/C19H31N7OS/c1-19(2,3)15-6-7-17(27)26(21-15)13-12-24-8-10-25(11-9-24)14-16-20-18(23(4)5)28-22-16/h6-7H,8-14H2,1-5H3
InChIKeyMWVGBDNTPOFDQO-UHFFFAOYSA-N
XLogP1.28
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one (CID 126914088) is 6-tert-butyl-2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one is CN(C)c1nc(CN2CCN(CCn3nc(C(C)(C)C)ccc3=O)CC2)ns1.
What is the InChIKey of 6-tert-butyl-2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is MWVGBDNTPOFDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7OS/c1-19(2,3)15-6-7-17(27)26(21-15)13-12-24-8-10-25(11-9-24)14-16-20-18(23(4)5)28-22-16/h6-7H,8-14H2,1-5H3.
What are the key properties of 6-tert-butyl-2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
6-tert-butyl-2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 405.57 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126914088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).