[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone

C21H29N5O3 — CID 121053866

IUPAC[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)c3cccc(OC)c3OC)CC2)nn1
InChIInChI=1S/C21H29N5O3/c1-5-24(6-2)18-10-11-19(23-22-18)25-12-14-26(15-13-25)21(27)16-8-7-9-17(28-3)20(16)29-4/h7-11H,5-6,12-15H2,1-4H3
InChIKeyYDHNQADISBBCAS-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.30
Rot. Bonds7

About [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone

[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone (PubChem CID 121053866) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
PubChem CID121053866
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)c3cccc(OC)c3OC)CC2)nn1
InChIInChI=1S/C21H29N5O3/c1-5-24(6-2)18-10-11-19(23-22-18)25-12-14-26(15-13-25)21(27)16-8-7-9-17(28-3)20(16)29-4/h7-11H,5-6,12-15H2,1-4H3
InChIKeyYDHNQADISBBCAS-UHFFFAOYSA-N
XLogP2.30
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2,3-dimethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 71799904
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 122335617
4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 122335422
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[2-(difluoromethylsulfonyl)phenyl]methanone
CID 122335549
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 122281039
(4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053372
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053870
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 122335592
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 122335542
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121053718
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122335476
(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883306

Frequently Asked Questions

What is the IUPAC name of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone?
The IUPAC name of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone (CID 121053866) is [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone.
What is the SMILES notation for [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone?
The canonical SMILES for [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone is CCN(CC)c1ccc(N2CCN(C(=O)c3cccc(OC)c3OC)CC2)nn1.
What is the InChIKey of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone?
The InChIKey is YDHNQADISBBCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-5-24(6-2)18-10-11-19(23-22-18)25-12-14-26(15-13-25)21(27)16-8-7-9-17(28-3)20(16)29-4/h7-11H,5-6,12-15H2,1-4H3.
What are the key properties of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone?
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone has a molecular weight of 399.50 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone is sourced from PubChem (CID 121053866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).