1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione

C12H15ClN4O2 — CID 104514012

IUPAC1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2ccc(Cl)nn2)CC1=O
InChIInChI=1S/C12H15ClN4O2/c1-2-5-16-7-12(19)17(8-11(16)18)6-9-3-4-10(13)15-14-9/h3-4H,2,5-8H2,1H3
InChIKeyYNWYOGYSBYQEHQ-UHFFFAOYSA-N
MW282.73 g/mol
LogP0.71
Rot. Bonds4

About 1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione

1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione (PubChem CID 104514012) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione
PubChem CID104514012
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2ccc(Cl)nn2)CC1=O
InChIInChI=1S/C12H15ClN4O2/c1-2-5-16-7-12(19)17(8-11(16)18)6-9-3-4-10(13)15-14-9/h3-4H,2,5-8H2,1H3
InChIKeyYNWYOGYSBYQEHQ-UHFFFAOYSA-N
XLogP0.71
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione (CID 104514012) is 1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione is CCCN1CC(=O)N(Cc2ccc(Cl)nn2)CC1=O.
What is the InChIKey of 1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione?
The InChIKey is YNWYOGYSBYQEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-2-5-16-7-12(19)17(8-11(16)18)6-9-3-4-10(13)15-14-9/h3-4H,2,5-8H2,1H3.
What are the key properties of 1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione?
1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione has a molecular weight of 282.73 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 104514012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).