6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone

C12H13N5OS — CID 62249906

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone
SMILESNNc1ccc(C(=O)N2CCc3sccc3C2)nn1
InChIInChI=1S/C12H13N5OS/c13-14-11-2-1-9(15-16-11)12(18)17-5-3-10-8(7-17)4-6-19-10/h1-2,4,6H,3,5,7,13H2,(H,14,16)
InChIKeyWRMALBSHXRIFOP-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.02
Rot. Bonds2

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone (PubChem CID 62249906) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone
PubChem CID62249906
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone
SMILESNNc1ccc(C(=O)N2CCc3sccc3C2)nn1
InChIInChI=1S/C12H13N5OS/c13-14-11-2-1-9(15-16-11)12(18)17-5-3-10-8(7-17)4-6-19-10/h1-2,4,6H,3,5,7,13H2,(H,14,16)
InChIKeyWRMALBSHXRIFOP-UHFFFAOYSA-N
XLogP1.02
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone
CID 107377709
(6-chloropyridazin-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 54927051
(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81256931
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(1H-pyrazol-4-yl)methanone
CID 43582358
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(2H-triazol-4-yl)methanone
CID 47338107
5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid
CID 43414813
6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-3-carbonitrile
CID 63718760
4-(6-hydrazinylpyridazine-3-carbonyl)piperazine-2,6-dione
CID 66062825
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
(2-amino-4,5-dimethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16777631
2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-methylpropanoic acid
CID 61264376

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone (CID 62249906) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone is NNc1ccc(C(=O)N2CCc3sccc3C2)nn1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone?
The InChIKey is WRMALBSHXRIFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c13-14-11-2-1-9(15-16-11)12(18)17-5-3-10-8(7-17)4-6-19-10/h1-2,4,6H,3,5,7,13H2,(H,14,16).
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone has a molecular weight of 275.34 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone is sourced from PubChem (CID 62249906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).