3-bromo-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazine

C11H17BrN4 — CID 175221367

IUPAC3-bromo-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazine
SMILESC[C@@H]1CN(c2cnnc(Br)c2)C[C@H](C)N1C
InChIInChI=1S/C11H17BrN4/c1-8-6-16(7-9(2)15(8)3)10-4-11(12)14-13-5-10/h4-5,8-9H,6-7H2,1-3H3/t8-,9+
InChIKeyFHFWKZNAISAPNR-DTORHVGOSA-N
MW285.19 g/mol
LogP1.77
Rot. Bonds1

About 3-bromo-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazine

3-bromo-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazine (PubChem CID 175221367) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is 3-bromo-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-bromo-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazine
PubChem CID175221367
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC Name3-bromo-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazine
SMILESC[C@@H]1CN(c2cnnc(Br)c2)C[C@H](C)N1C
InChIInChI=1S/C11H17BrN4/c1-8-6-16(7-9(2)15(8)3)10-4-11(12)14-13-5-10/h4-5,8-9H,6-7H2,1-3H3/t8-,9+
InChIKeyFHFWKZNAISAPNR-DTORHVGOSA-N
XLogP1.77
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-bromo-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazine (CID 175221367) is 3-bromo-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-bromo-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-bromo-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazine is C[C@@H]1CN(c2cnnc(Br)c2)C[C@H](C)N1C.
What is the InChIKey of 3-bromo-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazine?
The InChIKey is FHFWKZNAISAPNR-DTORHVGOSA-N. The full InChI is InChI=1S/C11H17BrN4/c1-8-6-16(7-9(2)15(8)3)10-4-11(12)14-13-5-10/h4-5,8-9H,6-7H2,1-3H3/t8-,9+.
What are the key properties of 3-bromo-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazine?
3-bromo-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazine has a molecular weight of 285.19 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 175221367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).