2-(pyrrolidin-2-ylmethyl)pyridazin-3-one

C9H13N3O — CID 62849606

IUPAC2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1
InChIInChI=1S/C9H13N3O/c13-9-4-2-6-11-12(9)7-8-3-1-5-10-8/h2,4,6,8,10H,1,3,5,7H2
InChIKeySKMOXEGRUDCJFD-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.00
Rot. Bonds2

About 2-(pyrrolidin-2-ylmethyl)pyridazin-3-one

2-(pyrrolidin-2-ylmethyl)pyridazin-3-one (PubChem CID 62849606) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
PubChem CID62849606
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1
InChIInChI=1S/C9H13N3O/c13-9-4-2-6-11-12(9)7-8-3-1-5-10-8/h2,4,6,8,10H,1,3,5,7H2
InChIKeySKMOXEGRUDCJFD-UHFFFAOYSA-N
XLogP-0.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 2-(pyrrolidin-2-ylmethyl)pyridazin-3-one (CID 62849606) is 2-(pyrrolidin-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 2-(pyrrolidin-2-ylmethyl)pyridazin-3-one is O=c1cccnn1CC1CCCN1.
What is the InChIKey of 2-(pyrrolidin-2-ylmethyl)pyridazin-3-one?
The InChIKey is SKMOXEGRUDCJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9-4-2-6-11-12(9)7-8-3-1-5-10-8/h2,4,6,8,10H,1,3,5,7H2.
What are the key properties of 2-(pyrrolidin-2-ylmethyl)pyridazin-3-one?
2-(pyrrolidin-2-ylmethyl)pyridazin-3-one has a molecular weight of 179.22 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 62849606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).