1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone

C13H14N4OS — CID 56778204

IUPAC1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone
SMILESNc1cc2c(nn1)CCN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C13H14N4OS/c14-12-6-9-8-17(4-3-11(9)15-16-12)13(18)7-10-2-1-5-19-10/h1-2,5-6H,3-4,7-8H2,(H2,14,16)
InChIKeyMVFULNYOHUQZLF-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.25
Rot. Bonds2

About 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone

1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone (PubChem CID 56778204) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone
PubChem CID56778204
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone
SMILESNc1cc2c(nn1)CCN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C13H14N4OS/c14-12-6-9-8-17(4-3-11(9)15-16-12)13(18)7-10-2-1-5-19-10/h1-2,5-6H,3-4,7-8H2,(H2,14,16)
InChIKeyMVFULNYOHUQZLF-UHFFFAOYSA-N
XLogP1.25
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone with MolForge

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Related Compounds

1-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)-2-thiophen-2-ylethanone
CID 24732768
1-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 91818391
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-(4-hydroxyiminopiperidin-1-yl)-2-thiophen-2-ylethanone
CID 24703567
1-(3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)-2-thiophen-2-ylethanone
CID 53140270
1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-thiophen-2-ylethanone
CID 42786475
1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 154581669
1-(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(2-methylphenyl)ethanone
CID 12582691
1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 70787649
5-fluoro-2-(2-thiophen-2-ylacetyl)-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
CID 154744766
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
CID 110721392
4-(2-thiophen-2-ylacetyl)-1,4-diazepan-2-one
CID 62897971

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone (CID 56778204) is 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone is Nc1cc2c(nn1)CCN(C(=O)Cc1cccs1)C2.
What is the InChIKey of 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone?
The InChIKey is MVFULNYOHUQZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c14-12-6-9-8-17(4-3-11(9)15-16-12)13(18)7-10-2-1-5-19-10/h1-2,5-6H,3-4,7-8H2,(H2,14,16).
What are the key properties of 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone?
1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone has a molecular weight of 274.35 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 56778204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).