1-[(3R)-4-(3,6-dichloropyridazin-4-yl)-3-methylpiperazin-1-yl]ethanone

C11H14Cl2N4O — CID 167436974

IUPAC1-[(3R)-4-(3,6-dichloropyridazin-4-yl)-3-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(Cl)nnc2Cl)[C@H](C)C1
InChIInChI=1S/C11H14Cl2N4O/c1-7-6-16(8(2)18)3-4-17(7)9-5-10(12)14-15-11(9)13/h5,7H,3-4,6H2,1-2H3/t7-/m1/s1
InChIKeyOAWHBESDDYDXLM-SSDOTTSWSA-N
MW289.17 g/mol
LogP1.84
Rot. Bonds1

About 1-[(3R)-4-(3,6-dichloropyridazin-4-yl)-3-methylpiperazin-1-yl]ethanone

1-[(3R)-4-(3,6-dichloropyridazin-4-yl)-3-methylpiperazin-1-yl]ethanone (PubChem CID 167436974) has the molecular formula C11H14Cl2N4O and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-[(3R)-4-(3,6-dichloropyridazin-4-yl)-3-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-4-(3,6-dichloropyridazin-4-yl)-3-methylpiperazin-1-yl]ethanone
PubChem CID167436974
Molecular FormulaC11H14Cl2N4O
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name1-[(3R)-4-(3,6-dichloropyridazin-4-yl)-3-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(Cl)nnc2Cl)[C@H](C)C1
InChIInChI=1S/C11H14Cl2N4O/c1-7-6-16(8(2)18)3-4-17(7)9-5-10(12)14-15-11(9)13/h5,7H,3-4,6H2,1-2H3/t7-/m1/s1
InChIKeyOAWHBESDDYDXLM-SSDOTTSWSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-Dichloro-4-(piperidin-1-yl)pyridazine
CID 6401291
4-(3,6-Dichloropyridazin-4-yl)morpholine
CID 3124953
(3,6-Dichloro-pyridazin-4-yl)-(2-methyl-allyl)-carbamic acid tert-butyl ester
CID 86724012
3,6-Dichloro-4-(4,4-difluoro-2-methylpiperidin-1-yl)pyridazine
CID 167436919
3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine
CID 81765600
3,6-Dichloro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
CID 81765705
3,6-Dichloro-4-(4-fluoropiperidin-1-yl)pyridazine
CID 164651206
3,6-Dichloro-4-[4-methylpiperazin-1-yl]pyridazine
CID 537742
tert-butyl N-(3,6-dichloropyridazin-4-yl)-N-methylcarbamate
CID 44630700
3,6-Dichloro-N-methyl-N-2-propen-1-yl-4-pyridazinamine
CID 56997027
(3,6-Dichloropyridazin-4-yl)diethylamine
CID 58136930
1-(1-(3,6-Dichloropyridazin-4-yl)piperidin-4-yl)ethanone
CID 58547957

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-(3,6-dichloropyridazin-4-yl)-3-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-4-(3,6-dichloropyridazin-4-yl)-3-methylpiperazin-1-yl]ethanone (CID 167436974) is 1-[(3R)-4-(3,6-dichloropyridazin-4-yl)-3-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-4-(3,6-dichloropyridazin-4-yl)-3-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-4-(3,6-dichloropyridazin-4-yl)-3-methylpiperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(Cl)nnc2Cl)[C@H](C)C1.
What is the InChIKey of 1-[(3R)-4-(3,6-dichloropyridazin-4-yl)-3-methylpiperazin-1-yl]ethanone?
The InChIKey is OAWHBESDDYDXLM-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14Cl2N4O/c1-7-6-16(8(2)18)3-4-17(7)9-5-10(12)14-15-11(9)13/h5,7H,3-4,6H2,1-2H3/t7-/m1/s1.
What are the key properties of 1-[(3R)-4-(3,6-dichloropyridazin-4-yl)-3-methylpiperazin-1-yl]ethanone?
1-[(3R)-4-(3,6-dichloropyridazin-4-yl)-3-methylpiperazin-1-yl]ethanone has a molecular weight of 289.17 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4-(3,6-dichloropyridazin-4-yl)-3-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 167436974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).