(4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone

C19H24BrN5O — CID 121053372

IUPAC(4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)nn1
InChIInChI=1S/C19H24BrN5O/c1-3-23(4-2)17-9-10-18(22-21-17)24-11-13-25(14-12-24)19(26)15-5-7-16(20)8-6-15/h5-10H,3-4,11-14H2,1-2H3
InChIKeyINQAJEUGKUJICR-UHFFFAOYSA-N
MW418.34 g/mol
LogP3.05
Rot. Bonds5

About (4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone

(4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121053372) has the molecular formula C19H24BrN5O and a molecular weight of 418.34 g/mol. Its IUPAC name is (4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID121053372
Molecular FormulaC19H24BrN5O
Molecular Weight418.34 g/mol
Exact Mass417.12
IUPAC Name(4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)nn1
InChIInChI=1S/C19H24BrN5O/c1-3-23(4-2)17-9-10-18(22-21-17)24-11-13-25(14-12-24)19(26)15-5-7-16(20)8-6-15/h5-10H,3-4,11-14H2,1-2H3
InChIKeyINQAJEUGKUJICR-UHFFFAOYSA-N
XLogP3.05
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053870
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 122335628
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 122335617
(4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 20867063
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122335476
1-[4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122334176
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 122335542
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 122335601
(4-bromophenyl)-[4-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 166200852
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 121053866
4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
CID 122334084
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 122335592

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 121053372) is (4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone is CCN(CC)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)nn1.
What is the InChIKey of (4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is INQAJEUGKUJICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN5O/c1-3-23(4-2)17-9-10-18(22-21-17)24-11-13-25(14-12-24)19(26)15-5-7-16(20)8-6-15/h5-10H,3-4,11-14H2,1-2H3.
What are the key properties of (4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
(4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 418.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121053372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).