5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one

C18H23N3O — CID 82445656

IUPAC5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one
SMILESCCCNCc1cc(-c2ccc3c(c2)CCCC3)n[nH]c1=O
InChIInChI=1S/C18H23N3O/c1-2-9-19-12-16-11-17(20-21-18(16)22)15-8-7-13-5-3-4-6-14(13)10-15/h7-8,10-11,19H,2-6,9,12H2,1H3,(H,21,22)
InChIKeyQIKDNNOXHRTJDD-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.82
Rot. Bonds5

About 5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one

5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one (PubChem CID 82445656) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one
PubChem CID82445656
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one
SMILESCCCNCc1cc(-c2ccc3c(c2)CCCC3)n[nH]c1=O
InChIInChI=1S/C18H23N3O/c1-2-9-19-12-16-11-17(20-21-18(16)22)15-8-7-13-5-3-4-6-14(13)10-15/h7-8,10-11,19H,2-6,9,12H2,1H3,(H,21,22)
InChIKeyQIKDNNOXHRTJDD-UHFFFAOYSA-N
XLogP2.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one (CID 82445656) is 5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one is CCCNCc1cc(-c2ccc3c(c2)CCCC3)n[nH]c1=O.
What is the InChIKey of 5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one?
The InChIKey is QIKDNNOXHRTJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-9-19-12-16-11-17(20-21-18(16)22)15-8-7-13-5-3-4-6-14(13)10-15/h7-8,10-11,19H,2-6,9,12H2,1H3,(H,21,22).
What are the key properties of 5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one?
5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one has a molecular weight of 297.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 82445656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).