4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one

C12H17ClN4O — CID 55215775

IUPAC4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1nnc(Cl)c(C)c1C
InChIInChI=1S/C12H17ClN4O/c1-4-9-12(18)14-5-6-17(9)11-8(3)7(2)10(13)15-16-11/h9H,4-6H2,1-3H3,(H,14,18)
InChIKeyUATBCNIKPBRPEZ-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.46
Rot. Bonds2

About 4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one

4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one (PubChem CID 55215775) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one
PubChem CID55215775
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1nnc(Cl)c(C)c1C
InChIInChI=1S/C12H17ClN4O/c1-4-9-12(18)14-5-6-17(9)11-8(3)7(2)10(13)15-16-11/h9H,4-6H2,1-3H3,(H,14,18)
InChIKeyUATBCNIKPBRPEZ-UHFFFAOYSA-N
XLogP1.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one (CID 55215775) is 4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1c1nnc(Cl)c(C)c1C.
What is the InChIKey of 4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one?
The InChIKey is UATBCNIKPBRPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-4-9-12(18)14-5-6-17(9)11-8(3)7(2)10(13)15-16-11/h9H,4-6H2,1-3H3,(H,14,18).
What are the key properties of 4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one?
4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one has a molecular weight of 268.75 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 55215775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).