3-iodo-6-[3-(trifluoromethyl)piperazin-1-yl]pyridazine

C9H10F3IN4 — CID 134405828

IUPAC3-iodo-6-[3-(trifluoromethyl)piperazin-1-yl]pyridazine
SMILESFC(F)(F)C1CN(c2ccc(I)nn2)CCN1
InChIInChI=1S/C9H10F3IN4/c10-9(11,12)6-5-17(4-3-14-6)8-2-1-7(13)15-16-8/h1-2,6,14H,3-5H2
InChIKeyMIVFEOGFVFTLBO-UHFFFAOYSA-N
MW358.11 g/mol
LogP1.42
Rot. Bonds1

About 3-iodo-6-[3-(trifluoromethyl)piperazin-1-yl]pyridazine

3-iodo-6-[3-(trifluoromethyl)piperazin-1-yl]pyridazine (PubChem CID 134405828) has the molecular formula C9H10F3IN4 and a molecular weight of 358.11 g/mol. Its IUPAC name is 3-iodo-6-[3-(trifluoromethyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-iodo-6-[3-(trifluoromethyl)piperazin-1-yl]pyridazine
PubChem CID134405828
Molecular FormulaC9H10F3IN4
Molecular Weight358.11 g/mol
Exact Mass357.99
IUPAC Name3-iodo-6-[3-(trifluoromethyl)piperazin-1-yl]pyridazine
SMILESFC(F)(F)C1CN(c2ccc(I)nn2)CCN1
InChIInChI=1S/C9H10F3IN4/c10-9(11,12)6-5-17(4-3-14-6)8-2-1-7(13)15-16-8/h1-2,6,14H,3-5H2
InChIKeyMIVFEOGFVFTLBO-UHFFFAOYSA-N
XLogP1.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.11
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-methyl-6-(3-methylpiperazin-1-yl)pyridazine
CID 62478379
3-[3-(trifluoromethyl)piperazin-1-yl]benzoic acid
CID 162786476
(3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine
CID 134406459
2-[4-[3-(trifluoromethyl)piperazin-1-yl]phenyl]propanoic acid
CID 67663093
5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137291610
3-[(3S)-3-methylpiperazin-1-yl]pyridazine
CID 94453251
3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 62478925
3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine
CID 116972688
3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine
CID 171327910
3-tert-butyl-1-(1-methylpyrazol-3-yl)-1,4-diazepane
CID 79785795
(2R)-4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine
CID 95463966
1-phenyl-3-(trichloromethyl)piperazine
CID 118386883

Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-[3-(trifluoromethyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-iodo-6-[3-(trifluoromethyl)piperazin-1-yl]pyridazine (CID 134405828) is 3-iodo-6-[3-(trifluoromethyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-iodo-6-[3-(trifluoromethyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-iodo-6-[3-(trifluoromethyl)piperazin-1-yl]pyridazine is FC(F)(F)C1CN(c2ccc(I)nn2)CCN1.
What is the InChIKey of 3-iodo-6-[3-(trifluoromethyl)piperazin-1-yl]pyridazine?
The InChIKey is MIVFEOGFVFTLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3IN4/c10-9(11,12)6-5-17(4-3-14-6)8-2-1-7(13)15-16-8/h1-2,6,14H,3-5H2.
What are the key properties of 3-iodo-6-[3-(trifluoromethyl)piperazin-1-yl]pyridazine?
3-iodo-6-[3-(trifluoromethyl)piperazin-1-yl]pyridazine has a molecular weight of 358.11 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-[3-(trifluoromethyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 134405828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).