3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one

C13H13N3O2S — CID 103604024

IUPAC3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one
SMILESCC1c2ccsc2CCN1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H13N3O2S/c1-8-9-5-7-19-11(9)4-6-16(8)13(18)10-2-3-12(17)15-14-10/h2-3,5,7-8H,4,6H2,1H3,(H,15,17)
InChIKeyDOEMAZBUYHGVQL-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.59
Rot. Bonds1

About 3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one

3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one (PubChem CID 103604024) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one
PubChem CID103604024
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one
SMILESCC1c2ccsc2CCN1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H13N3O2S/c1-8-9-5-7-19-11(9)4-6-16(8)13(18)10-2-3-12(17)15-14-10/h2-3,5,7-8H,4,6H2,1H3,(H,15,17)
InChIKeyDOEMAZBUYHGVQL-UHFFFAOYSA-N
XLogP1.59
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one with MolForge

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Related Compounds

[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 37314651
(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073
5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)thiophene-2-carboxylic acid
CID 60722425
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;hydrochloride
CID 119694088
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 6929698
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-propan-2-ylphenyl)methanone
CID 8948835
(3-amino-2-pyridinyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 104741824
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-sulfanylphenyl)methanone
CID 107026703
2-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)triazol-1-yl]acetic acid
CID 66290010
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-pyridin-3-ylmethanone
CID 47120180
N-ethyl-N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 116655108

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one (CID 103604024) is 3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one is CC1c2ccsc2CCN1C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of 3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one?
The InChIKey is DOEMAZBUYHGVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-8-9-5-7-19-11(9)4-6-16(8)13(18)10-2-3-12(17)15-14-10/h2-3,5,7-8H,4,6H2,1H3,(H,15,17).
What are the key properties of 3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one?
3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one has a molecular weight of 275.33 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 103604024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).