1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]ethanone

C16H17N3O — CID 71528645

IUPAC1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C16H17N3O/c1-12(20)13-4-6-14(7-5-13)15-8-9-16(18-17-15)19-10-2-3-11-19/h4-9H,2-3,10-11H2,1H3
InChIKeyPCWHYLKBJAQDKL-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.95
Rot. Bonds3

About 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]ethanone

1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]ethanone (PubChem CID 71528645) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]ethanone
PubChem CID71528645
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C16H17N3O/c1-12(20)13-4-6-14(7-5-13)15-8-9-16(18-17-15)19-10-2-3-11-19/h4-9H,2-3,10-11H2,1H3
InChIKeyPCWHYLKBJAQDKL-UHFFFAOYSA-N
XLogP2.95
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]ethanone (CID 71528645) is 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]ethanone is CC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1.
What is the InChIKey of 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]ethanone?
The InChIKey is PCWHYLKBJAQDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12(20)13-4-6-14(7-5-13)15-8-9-16(18-17-15)19-10-2-3-11-19/h4-9H,2-3,10-11H2,1H3.
What are the key properties of 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]ethanone?
1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]ethanone has a molecular weight of 267.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]ethanone is sourced from PubChem (CID 71528645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).