2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one

C16H21N3O — CID 82036682

IUPAC2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one
SMILESCC(C)c1ccc(-c2ccc(=O)n(CCCN)n2)cc1
InChIInChI=1S/C16H21N3O/c1-12(2)13-4-6-14(7-5-13)15-8-9-16(20)19(18-15)11-3-10-17/h4-9,12H,3,10-11,17H2,1-2H3
InChIKeyQVMASXAAMIDLAX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.38
Rot. Bonds5

About 2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one

2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one (PubChem CID 82036682) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one
PubChem CID82036682
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one
SMILESCC(C)c1ccc(-c2ccc(=O)n(CCCN)n2)cc1
InChIInChI=1S/C16H21N3O/c1-12(2)13-4-6-14(7-5-13)15-8-9-16(20)19(18-15)11-3-10-17/h4-9,12H,3,10-11,17H2,1-2H3
InChIKeyQVMASXAAMIDLAX-UHFFFAOYSA-N
XLogP2.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one?
The IUPAC name of 2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one (CID 82036682) is 2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one?
The canonical SMILES for 2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one is CC(C)c1ccc(-c2ccc(=O)n(CCCN)n2)cc1.
What is the InChIKey of 2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one?
The InChIKey is QVMASXAAMIDLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)13-4-6-14(7-5-13)15-8-9-16(20)19(18-15)11-3-10-17/h4-9,12H,3,10-11,17H2,1-2H3.
What are the key properties of 2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one?
2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one has a molecular weight of 271.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one is sourced from PubChem (CID 82036682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).