6-[3-[di(propan-2-yl)amino]propoxy]-2-phenylpyridazin-3-one

C19H27N3O2 — CID 127048204

IUPAC6-[3-[di(propan-2-yl)amino]propoxy]-2-phenylpyridazin-3-one
SMILESCC(C)N(CCCOc1ccc(=O)n(-c2ccccc2)n1)C(C)C
InChIInChI=1S/C19H27N3O2/c1-15(2)21(16(3)4)13-8-14-24-18-11-12-19(23)22(20-18)17-9-6-5-7-10-17/h5-7,9-12,15-16H,8,13-14H2,1-4H3
InChIKeyGKHJNWHGWDBKAS-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.12
Rot. Bonds8

About 6-[3-[di(propan-2-yl)amino]propoxy]-2-phenylpyridazin-3-one

6-[3-[di(propan-2-yl)amino]propoxy]-2-phenylpyridazin-3-one (PubChem CID 127048204) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 6-[3-[di(propan-2-yl)amino]propoxy]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[3-[di(propan-2-yl)amino]propoxy]-2-phenylpyridazin-3-one
PubChem CID127048204
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name6-[3-[di(propan-2-yl)amino]propoxy]-2-phenylpyridazin-3-one
SMILESCC(C)N(CCCOc1ccc(=O)n(-c2ccccc2)n1)C(C)C
InChIInChI=1S/C19H27N3O2/c1-15(2)21(16(3)4)13-8-14-24-18-11-12-19(23)22(20-18)17-9-6-5-7-10-17/h5-7,9-12,15-16H,8,13-14H2,1-4H3
InChIKeyGKHJNWHGWDBKAS-UHFFFAOYSA-N
XLogP3.12
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 6-[3-[di(propan-2-yl)amino]propoxy]-2-phenylpyridazin-3-one?
The IUPAC name of 6-[3-[di(propan-2-yl)amino]propoxy]-2-phenylpyridazin-3-one (CID 127048204) is 6-[3-[di(propan-2-yl)amino]propoxy]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[3-[di(propan-2-yl)amino]propoxy]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[3-[di(propan-2-yl)amino]propoxy]-2-phenylpyridazin-3-one is CC(C)N(CCCOc1ccc(=O)n(-c2ccccc2)n1)C(C)C.
What is the InChIKey of 6-[3-[di(propan-2-yl)amino]propoxy]-2-phenylpyridazin-3-one?
The InChIKey is GKHJNWHGWDBKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15(2)21(16(3)4)13-8-14-24-18-11-12-19(23)22(20-18)17-9-6-5-7-10-17/h5-7,9-12,15-16H,8,13-14H2,1-4H3.
What are the key properties of 6-[3-[di(propan-2-yl)amino]propoxy]-2-phenylpyridazin-3-one?
6-[3-[di(propan-2-yl)amino]propoxy]-2-phenylpyridazin-3-one has a molecular weight of 329.44 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[di(propan-2-yl)amino]propoxy]-2-phenylpyridazin-3-one is sourced from PubChem (CID 127048204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).