4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one

C15H17N3O — CID 82467444

IUPAC4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one
SMILESCn1nc(-c2ccc3c(c2)CCCC3)cc(N)c1=O
InChIInChI=1S/C15H17N3O/c1-18-15(19)13(16)9-14(17-18)12-7-6-10-4-2-3-5-11(10)8-12/h6-9H,2-5,16H2,1H3
InChIKeyLIEFSQQPCKWMRS-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.91
Rot. Bonds1

About 4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one

4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one (PubChem CID 82467444) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one
PubChem CID82467444
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one
SMILESCn1nc(-c2ccc3c(c2)CCCC3)cc(N)c1=O
InChIInChI=1S/C15H17N3O/c1-18-15(19)13(16)9-14(17-18)12-7-6-10-4-2-3-5-11(10)8-12/h6-9H,2-5,16H2,1H3
InChIKeyLIEFSQQPCKWMRS-UHFFFAOYSA-N
XLogP1.91
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one?
The IUPAC name of 4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one (CID 82467444) is 4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one?
The canonical SMILES for 4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one is Cn1nc(-c2ccc3c(c2)CCCC3)cc(N)c1=O.
What is the InChIKey of 4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one?
The InChIKey is LIEFSQQPCKWMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18-15(19)13(16)9-14(17-18)12-7-6-10-4-2-3-5-11(10)8-12/h6-9H,2-5,16H2,1H3.
What are the key properties of 4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one?
4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one has a molecular weight of 255.32 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one is sourced from PubChem (CID 82467444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).