6-benzyl-N,1-dioxo-2H-pyrrolo[3,4-d]pyridazine-5-carboxamide

C14H10N4O3 — CID 141010796

IUPAC6-benzyl-N,1-dioxo-2H-pyrrolo[3,4-d]pyridazine-5-carboxamide
SMILESO=NC(=O)c1c2cn[nH]c(=O)c2cn1Cc1ccccc1
InChIInChI=1S/C14H10N4O3/c19-13-11-8-18(7-9-4-2-1-3-5-9)12(14(20)17-21)10(11)6-15-16-13/h1-6,8H,7H2,(H,16,19)
InChIKeyZRCJXJWUZDHEPK-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.68
Rot. Bonds3

About 6-benzyl-N,1-dioxo-2H-pyrrolo[3,4-d]pyridazine-5-carboxamide

6-benzyl-N,1-dioxo-2H-pyrrolo[3,4-d]pyridazine-5-carboxamide (PubChem CID 141010796) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 6-benzyl-N,1-dioxo-2H-pyrrolo[3,4-d]pyridazine-5-carboxamide.

Molecular Properties

Compound Name6-benzyl-N,1-dioxo-2H-pyrrolo[3,4-d]pyridazine-5-carboxamide
PubChem CID141010796
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name6-benzyl-N,1-dioxo-2H-pyrrolo[3,4-d]pyridazine-5-carboxamide
SMILESO=NC(=O)c1c2cn[nH]c(=O)c2cn1Cc1ccccc1
InChIInChI=1S/C14H10N4O3/c19-13-11-8-18(7-9-4-2-1-3-5-9)12(14(20)17-21)10(11)6-15-16-13/h1-6,8H,7H2,(H,16,19)
InChIKeyZRCJXJWUZDHEPK-UHFFFAOYSA-N
XLogP1.68
TPSA97.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-7-methyl-3,4,7,10,11-pentazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,11-tetraen-9-one
CID 154681825
1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one
CID 19437775
1-benzyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 79014884
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207408
1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one
CID 66602762
1-benzyl-5-hydroxypyrimidine-2,4-dione
CID 130005673
N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide
CID 166334917
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 8929267
5-acetyl-1-benzylpyrimidine-2,4-dione
CID 3334243
6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one
CID 14241243
1-benzyl-4-phenoxypyrazole-5-carboxylic acid
CID 117232582
phenol;2H-phthalazin-1-one
CID 175459904

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N,1-dioxo-2H-pyrrolo[3,4-d]pyridazine-5-carboxamide?
The IUPAC name of 6-benzyl-N,1-dioxo-2H-pyrrolo[3,4-d]pyridazine-5-carboxamide (CID 141010796) is 6-benzyl-N,1-dioxo-2H-pyrrolo[3,4-d]pyridazine-5-carboxamide.
What is the SMILES notation for 6-benzyl-N,1-dioxo-2H-pyrrolo[3,4-d]pyridazine-5-carboxamide?
The canonical SMILES for 6-benzyl-N,1-dioxo-2H-pyrrolo[3,4-d]pyridazine-5-carboxamide is O=NC(=O)c1c2cn[nH]c(=O)c2cn1Cc1ccccc1.
What is the InChIKey of 6-benzyl-N,1-dioxo-2H-pyrrolo[3,4-d]pyridazine-5-carboxamide?
The InChIKey is ZRCJXJWUZDHEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c19-13-11-8-18(7-9-4-2-1-3-5-9)12(14(20)17-21)10(11)6-15-16-13/h1-6,8H,7H2,(H,16,19).
What are the key properties of 6-benzyl-N,1-dioxo-2H-pyrrolo[3,4-d]pyridazine-5-carboxamide?
6-benzyl-N,1-dioxo-2H-pyrrolo[3,4-d]pyridazine-5-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N,1-dioxo-2H-pyrrolo[3,4-d]pyridazine-5-carboxamide is sourced from PubChem (CID 141010796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).