[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C20H27N5O4 — CID 121053718

IUPAC[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3ccc(N(C)C)nn3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H27N5O4/c1-23(2)17-6-7-18(22-21-17)24-8-10-25(11-9-24)20(26)14-12-15(27-3)19(29-5)16(13-14)28-4/h6-7,12-13H,8-11H2,1-5H3
InChIKeyOQKRPRCBMVBAMI-UHFFFAOYSA-N
MW401.47 g/mol
LogP1.53
Rot. Bonds6

About [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 121053718) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID121053718
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3ccc(N(C)C)nn3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H27N5O4/c1-23(2)17-6-7-18(22-21-17)24-8-10-25(11-9-24)20(26)14-12-15(27-3)19(29-5)16(13-14)28-4/h6-7,12-13H,8-11H2,1-5H3
InChIKeyOQKRPRCBMVBAMI-UHFFFAOYSA-N
XLogP1.53
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 16883464
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121113744
1-[4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122334176
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 121053720
[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121053512
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 122334080
4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
CID 122334084
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 122334078
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
[4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 28760
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 122335617
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone
CID 122334178

Frequently Asked Questions

What is the IUPAC name of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 121053718) is [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCN(c3ccc(N(C)C)nn3)CC2)cc(OC)c1OC.
What is the InChIKey of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is OQKRPRCBMVBAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-23(2)17-6-7-18(22-21-17)24-8-10-25(11-9-24)20(26)14-12-15(27-3)19(29-5)16(13-14)28-4/h6-7,12-13H,8-11H2,1-5H3.
What are the key properties of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 401.47 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 121053718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).