[4,5-dimethyl-6-(3-methylpiperazin-1-yl)-3-pyridinyl]-pyridazin-3-ylmethanone

C17H21N5O — CID 67184501

IUPAC[4,5-dimethyl-6-(3-methylpiperazin-1-yl)-3-pyridinyl]-pyridazin-3-ylmethanone
SMILESCc1c(C(=O)c2cccnn2)cnc(N2CCNC(C)C2)c1C
InChIInChI=1S/C17H21N5O/c1-11-10-22(8-7-18-11)17-13(3)12(2)14(9-19-17)16(23)15-5-4-6-20-21-15/h4-6,9,11,18H,7-8,10H2,1-3H3
InChIKeyFGTAQADWQLGTKW-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.52
Rot. Bonds3

About [4,5-dimethyl-6-(3-methylpiperazin-1-yl)-3-pyridinyl]-pyridazin-3-ylmethanone

[4,5-dimethyl-6-(3-methylpiperazin-1-yl)-3-pyridinyl]-pyridazin-3-ylmethanone (PubChem CID 67184501) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is [4,5-dimethyl-6-(3-methylpiperazin-1-yl)-3-pyridinyl]-pyridazin-3-ylmethanone.

Molecular Properties

Compound Name[4,5-dimethyl-6-(3-methylpiperazin-1-yl)-3-pyridinyl]-pyridazin-3-ylmethanone
PubChem CID67184501
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name[4,5-dimethyl-6-(3-methylpiperazin-1-yl)-3-pyridinyl]-pyridazin-3-ylmethanone
SMILESCc1c(C(=O)c2cccnn2)cnc(N2CCNC(C)C2)c1C
InChIInChI=1S/C17H21N5O/c1-11-10-22(8-7-18-11)17-13(3)12(2)14(9-19-17)16(23)15-5-4-6-20-21-15/h4-6,9,11,18H,7-8,10H2,1-3H3
InChIKeyFGTAQADWQLGTKW-UHFFFAOYSA-N
XLogP1.52
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4,5-dimethyl-6-(3-methylpiperazin-1-yl)-3-pyridinyl]-pyridazin-3-ylmethanone with MolForge

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Related Compounds

3-[(3S)-3-methylpiperazin-1-yl]pyridazine
CID 94453251
6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 104977483
1-(3-bromo-2-pyridinyl)-3-methylpiperazine
CID 62478564
1-(3-fluoro-2-pyridinyl)-3-methylpiperazine
CID 62734907
(3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine
CID 96944499
5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 141318308
2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 58826334
(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68719907
5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide
CID 175838980
(3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119578639
2,5-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]pyrazine
CID 94450674
2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine
CID 94450675

Frequently Asked Questions

What is the IUPAC name of [4,5-dimethyl-6-(3-methylpiperazin-1-yl)-3-pyridinyl]-pyridazin-3-ylmethanone?
The IUPAC name of [4,5-dimethyl-6-(3-methylpiperazin-1-yl)-3-pyridinyl]-pyridazin-3-ylmethanone (CID 67184501) is [4,5-dimethyl-6-(3-methylpiperazin-1-yl)-3-pyridinyl]-pyridazin-3-ylmethanone.
What is the SMILES notation for [4,5-dimethyl-6-(3-methylpiperazin-1-yl)-3-pyridinyl]-pyridazin-3-ylmethanone?
The canonical SMILES for [4,5-dimethyl-6-(3-methylpiperazin-1-yl)-3-pyridinyl]-pyridazin-3-ylmethanone is Cc1c(C(=O)c2cccnn2)cnc(N2CCNC(C)C2)c1C.
What is the InChIKey of [4,5-dimethyl-6-(3-methylpiperazin-1-yl)-3-pyridinyl]-pyridazin-3-ylmethanone?
The InChIKey is FGTAQADWQLGTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11-10-22(8-7-18-11)17-13(3)12(2)14(9-19-17)16(23)15-5-4-6-20-21-15/h4-6,9,11,18H,7-8,10H2,1-3H3.
What are the key properties of [4,5-dimethyl-6-(3-methylpiperazin-1-yl)-3-pyridinyl]-pyridazin-3-ylmethanone?
[4,5-dimethyl-6-(3-methylpiperazin-1-yl)-3-pyridinyl]-pyridazin-3-ylmethanone has a molecular weight of 311.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-dimethyl-6-(3-methylpiperazin-1-yl)-3-pyridinyl]-pyridazin-3-ylmethanone is sourced from PubChem (CID 67184501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).