6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one

C15H17N3O — CID 116788347

IUPAC6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one
SMILESNc1ccc(=O)n(CC2CCCc3ccccc32)n1
InChIInChI=1S/C15H17N3O/c16-14-8-9-15(19)18(17-14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-2,4,7-9,12H,3,5-6,10H2,(H2,16,17)
InChIKeyHKUPRVXROSCVPV-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.95
Rot. Bonds2

About 6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one

6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one (PubChem CID 116788347) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one
PubChem CID116788347
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one
SMILESNc1ccc(=O)n(CC2CCCc3ccccc32)n1
InChIInChI=1S/C15H17N3O/c16-14-8-9-15(19)18(17-14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-2,4,7-9,12H,3,5-6,10H2,(H2,16,17)
InChIKeyHKUPRVXROSCVPV-UHFFFAOYSA-N
XLogP1.95
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyridazin-3-one
CID 116788178
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115619085
5-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazol-4-amine
CID 79537679
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
CID 44784874
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol
CID 63771143
4-(1-chloroethyl)-3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole
CID 63771481
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-2-yl]methanamine
CID 63771609
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carbaldehyde
CID 63772321

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one (CID 116788347) is 6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one is Nc1ccc(=O)n(CC2CCCc3ccccc32)n1.
What is the InChIKey of 6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one?
The InChIKey is HKUPRVXROSCVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-14-8-9-15(19)18(17-14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-2,4,7-9,12H,3,5-6,10H2,(H2,16,17).
What are the key properties of 6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one?
6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one has a molecular weight of 255.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 116788347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).