2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one

C11H17N3O — CID 62924077

IUPAC2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCCNC2CC2)n1
InChIInChI=1S/C11H17N3O/c1-9-3-6-11(15)14(13-9)8-2-7-12-10-4-5-10/h3,6,10,12H,2,4-5,7-8H2,1H3
InChIKeyZVEIGKHVMFFXFP-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.69
Rot. Bonds5

About 2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one

2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one (PubChem CID 62924077) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one
PubChem CID62924077
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCCNC2CC2)n1
InChIInChI=1S/C11H17N3O/c1-9-3-6-11(15)14(13-9)8-2-7-12-10-4-5-10/h3,6,10,12H,2,4-5,7-8H2,1H3
InChIKeyZVEIGKHVMFFXFP-UHFFFAOYSA-N
XLogP0.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one (CID 62924077) is 2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCCNC2CC2)n1.
What is the InChIKey of 2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one?
The InChIKey is ZVEIGKHVMFFXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-3-6-11(15)14(13-9)8-2-7-12-10-4-5-10/h3,6,10,12H,2,4-5,7-8H2,1H3.
What are the key properties of 2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one?
2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one has a molecular weight of 207.28 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 62924077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).