2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one

C17H27N5O3 — CID 72838958

IUPAC2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C17H27N5O3/c1-5-6-7-14-17(25)20(4)8-9-21(14)16(24)12-22-15(23)10-13(11-18-22)19(2)3/h10-11,14H,5-9,12H2,1-4H3
InChIKeyBHIXOUUFSMIQNQ-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.17
Rot. Bonds6

About 2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one

2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one (PubChem CID 72838958) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one
PubChem CID72838958
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C17H27N5O3/c1-5-6-7-14-17(25)20(4)8-9-21(14)16(24)12-22-15(23)10-13(11-18-22)19(2)3/h10-11,14H,5-9,12H2,1-4H3
InChIKeyBHIXOUUFSMIQNQ-UHFFFAOYSA-N
XLogP0.17
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one (CID 72838958) is 2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one is CCCCC1C(=O)N(C)CCN1C(=O)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one?
The InChIKey is BHIXOUUFSMIQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-5-6-7-14-17(25)20(4)8-9-21(14)16(24)12-22-15(23)10-13(11-18-22)19(2)3/h10-11,14H,5-9,12H2,1-4H3.
What are the key properties of 2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one?
2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one has a molecular weight of 349.44 g/mol, XLogP of 0.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 72838958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).