2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide

C16H18N4O — CID 82443990

IUPAC2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccc3c(c2)CCCC3)nn(C)c1=O
InChIInChI=1S/C16H18N4O/c1-20-16(21)13(15(17)18)9-14(19-20)12-7-6-10-4-2-3-5-11(10)8-12/h6-9H,2-5H2,1H3,(H3,17,18)
InChIKeyVRDUZMOIEMHNBU-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.61
Rot. Bonds2

About 2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide

2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide (PubChem CID 82443990) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide
PubChem CID82443990
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccc3c(c2)CCCC3)nn(C)c1=O
InChIInChI=1S/C16H18N4O/c1-20-16(21)13(15(17)18)9-14(19-20)12-7-6-10-4-2-3-5-11(10)8-12/h6-9H,2-5H2,1H3,(H3,17,18)
InChIKeyVRDUZMOIEMHNBU-UHFFFAOYSA-N
XLogP1.61
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide?
The IUPAC name of 2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide (CID 82443990) is 2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide.
What is the SMILES notation for 2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide?
The canonical SMILES for 2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide is [H]/N=C(\N)c1cc(-c2ccc3c(c2)CCCC3)nn(C)c1=O.
What is the InChIKey of 2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide?
The InChIKey is VRDUZMOIEMHNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-20-16(21)13(15(17)18)9-14(19-20)12-7-6-10-4-2-3-5-11(10)8-12/h6-9H,2-5H2,1H3,(H3,17,18).
What are the key properties of 2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide?
2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide has a molecular weight of 282.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide is sourced from PubChem (CID 82443990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).