1-[(4R)-4-[3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1,3-thiazolidin-3-yl]ethanone

C15H21N5O2S — CID 95766382

IUPAC1-[(4R)-4-[3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CSC[C@H]1C(=O)N1CCc2nnc(N(C)C)cc2C1
InChIInChI=1S/C15H21N5O2S/c1-10(21)20-9-23-8-13(20)15(22)19-5-4-12-11(7-19)6-14(17-16-12)18(2)3/h6,13H,4-5,7-9H2,1-3H3/t13-/m0/s1
InChIKeyWAGAPBQBMUUCIA-ZDUSSCGKSA-N
MW335.43 g/mol
LogP0.35
Rot. Bonds2

About 1-[(4R)-4-[3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1,3-thiazolidin-3-yl]ethanone

1-[(4R)-4-[3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1,3-thiazolidin-3-yl]ethanone (PubChem CID 95766382) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[(4R)-4-[3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(4R)-4-[3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1,3-thiazolidin-3-yl]ethanone
PubChem CID95766382
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name1-[(4R)-4-[3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CSC[C@H]1C(=O)N1CCc2nnc(N(C)C)cc2C1
InChIInChI=1S/C15H21N5O2S/c1-10(21)20-9-23-8-13(20)15(22)19-5-4-12-11(7-19)6-14(17-16-12)18(2)3/h6,13H,4-5,7-9H2,1-3H3/t13-/m0/s1
InChIKeyWAGAPBQBMUUCIA-ZDUSSCGKSA-N
XLogP0.35
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-[3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 1-[(4R)-4-[3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1,3-thiazolidin-3-yl]ethanone (CID 95766382) is 1-[(4R)-4-[3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[(4R)-4-[3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 1-[(4R)-4-[3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1,3-thiazolidin-3-yl]ethanone is CC(=O)N1CSC[C@H]1C(=O)N1CCc2nnc(N(C)C)cc2C1.
What is the InChIKey of 1-[(4R)-4-[3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is WAGAPBQBMUUCIA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-10(21)20-9-23-8-13(20)15(22)19-5-4-12-11(7-19)6-14(17-16-12)18(2)3/h6,13H,4-5,7-9H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-[(4R)-4-[3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1,3-thiazolidin-3-yl]ethanone?
1-[(4R)-4-[3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 335.43 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-[3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 95766382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).