3-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine iodide

C10H16ClIN4 — CID 10383523

IUPAC3-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine iodide
SMILESC[N+]1(C)CCN(c2ccc(Cl)nn2)CC1.[I-]
InChIInChI=1S/C10H16ClN4.HI/c1-15(2)7-5-14(6-8-15)10-4-3-9(11)12-13-10;/h3-4H,5-8H2,1-2H3;1H/q+1;/p-1
InChIKeyDEVZSTVBBAEWDC-UHFFFAOYSA-M
MW354.62 g/mol
LogP-1.97
Rot. Bonds1

About 3-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine iodide

3-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine iodide (PubChem CID 10383523) has the molecular formula C10H16ClIN4 and a molecular weight of 354.62 g/mol. Its IUPAC name is 3-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine iodide.

Molecular Properties

Compound Name3-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine iodide
PubChem CID10383523
Molecular FormulaC10H16ClIN4
Molecular Weight354.62 g/mol
Exact Mass354.01
IUPAC Name3-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine iodide
SMILESC[N+]1(C)CCN(c2ccc(Cl)nn2)CC1.[I-]
InChIInChI=1S/C10H16ClN4.HI/c1-15(2)7-5-14(6-8-15)10-4-3-9(11)12-13-10;/h3-4H,5-8H2,1-2H3;1H/q+1;/p-1
InChIKeyDEVZSTVBBAEWDC-UHFFFAOYSA-M
XLogP-1.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.62
LogP ≤ 5-1.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-Chloro-6-(1-piperazinyl)pyridazine
CID 5294926
3-Chloro-6-(1-piperidinyl)pyridazine
CID 558392
3-Chloro-6-(4-methylpiperazin-1-yl)pyridazine
CID 7098865
1-(3-Chloro-6-pyridazinyl)-homopiperazine
CID 10104631
4-(6-Chloropyridazin-3-yl)morpholine
CID 321079
6-chloro-N,N-dimethylpyridazin-3-amine
CID 252474
3-Chloro-6-(1-pyrrolidinyl)pyridazine
CID 7020363
3-Chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine
CID 6418933
4-(6-Chloropyridazin-3-yl)-2,6-dimethylmorpholine
CID 6618933
1-(6-Chloropyridazin-3-yl)azepane
CID 6401290
(1S,4S)-2-(6-chloropyridazin-3-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 10082372
(1R,4R)-2-(6-chloropyridazin-3-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 10443633

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine iodide?
The IUPAC name of 3-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine iodide (CID 10383523) is 3-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine iodide.
What is the SMILES notation for 3-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine iodide?
The canonical SMILES for 3-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine iodide is C[N+]1(C)CCN(c2ccc(Cl)nn2)CC1.[I-].
What is the InChIKey of 3-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine iodide?
The InChIKey is DEVZSTVBBAEWDC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16ClN4.HI/c1-15(2)7-5-14(6-8-15)10-4-3-9(11)12-13-10;/h3-4H,5-8H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 3-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine iodide?
3-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine iodide has a molecular weight of 354.62 g/mol, XLogP of -1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine iodide is sourced from PubChem (CID 10383523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).