4-(aminomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one

C9H10Cl2N4O — CID 168661150

IUPAC4-(aminomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2cc(Cl)nnc2Cl)C1
InChIInChI=1S/C9H10Cl2N4O/c10-7-2-6(9(11)14-13-7)15-4-5(3-12)1-8(15)16/h2,5H,1,3-4,12H2
InChIKeyIFYXGYOQTDZBPA-UHFFFAOYSA-N
MW261.11 g/mol
LogP1.10
Rot. Bonds2

About 4-(aminomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one (PubChem CID 168661150) has the molecular formula C9H10Cl2N4O and a molecular weight of 261.11 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one
PubChem CID168661150
Molecular FormulaC9H10Cl2N4O
Molecular Weight261.11 g/mol
Exact Mass260.02
IUPAC Name4-(aminomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2cc(Cl)nnc2Cl)C1
InChIInChI=1S/C9H10Cl2N4O/c10-7-2-6(9(11)14-13-7)15-4-5(3-12)1-8(15)16/h2,5H,1,3-4,12H2
InChIKeyIFYXGYOQTDZBPA-UHFFFAOYSA-N
XLogP1.10
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one (CID 168661150) is 4-(aminomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one is NCC1CC(=O)N(c2cc(Cl)nnc2Cl)C1.
What is the InChIKey of 4-(aminomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one?
The InChIKey is IFYXGYOQTDZBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4O/c10-7-2-6(9(11)14-13-7)15-4-5(3-12)1-8(15)16/h2,5H,1,3-4,12H2.
What are the key properties of 4-(aminomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one has a molecular weight of 261.11 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(3,6-dichloropyridazin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168661150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).