3-iodo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine

C10H12F3IN4 — CID 134406671

IUPAC3-iodo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
SMILESFC(F)(F)CN1CCN(c2ccc(I)nn2)CC1
InChIInChI=1S/C10H12F3IN4/c11-10(12,13)7-17-3-5-18(6-4-17)9-2-1-8(14)15-16-9/h1-2H,3-7H2
InChIKeyVKCAJYVKLWUFGC-UHFFFAOYSA-N
MW372.13 g/mol
LogP1.77
Rot. Bonds2

About 3-iodo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine

3-iodo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine (PubChem CID 134406671) has the molecular formula C10H12F3IN4 and a molecular weight of 372.13 g/mol. Its IUPAC name is 3-iodo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-iodo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
PubChem CID134406671
Molecular FormulaC10H12F3IN4
Molecular Weight372.13 g/mol
Exact Mass372.01
IUPAC Name3-iodo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
SMILESFC(F)(F)CN1CCN(c2ccc(I)nn2)CC1
InChIInChI=1S/C10H12F3IN4/c11-10(12,13)7-17-3-5-18(6-4-17)9-2-1-8(14)15-16-9/h1-2H,3-7H2
InChIKeyVKCAJYVKLWUFGC-UHFFFAOYSA-N
XLogP1.77
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.13
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-6-(pyrrolidin-1-yl)pyridazine
CID 125511550
3,6-Di-1-piperidinylpyridazine
CID 6401556
N,N-dimethyl-6-(piperazin-1-yl)pyridazin-3-amine
CID 33702672
3,6-Bis(4-methylpiperazin-1-yl)pyridazine
CID 6411613
3-(4-Methylpiperazin-1-yl)pyridazine
CID 11065438
6-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-b]pyridazine
CID 17451701
3-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 70812437
6-[4-(2,2,2-Trifluoroethyl)-1-piperazinyl]-3-pyridazinamine
CID 113522358
6-[4-(Trifluoromethyl)piperidin-1-yl]pyridazin-3-amine
CID 113522367
6-(4,4-Difluoropiperidin-1-yl)pyridazin-3-amine
CID 122238900
3-(4-Iodopiperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 124085805
(3R,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)piperidin-4-amine
CID 124116295

Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-iodo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine (CID 134406671) is 3-iodo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-iodo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-iodo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine is FC(F)(F)CN1CCN(c2ccc(I)nn2)CC1.
What is the InChIKey of 3-iodo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
The InChIKey is VKCAJYVKLWUFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3IN4/c11-10(12,13)7-17-3-5-18(6-4-17)9-2-1-8(14)15-16-9/h1-2H,3-7H2.
What are the key properties of 3-iodo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
3-iodo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine has a molecular weight of 372.13 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 134406671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).