3-(chloromethyl)-6-(3,3,4-trimethylpiperazin-1-yl)pyridazine

C12H19ClN4 — CID 63634840

IUPAC3-(chloromethyl)-6-(3,3,4-trimethylpiperazin-1-yl)pyridazine
SMILESCN1CCN(c2ccc(CCl)nn2)CC1(C)C
InChIInChI=1S/C12H19ClN4/c1-12(2)9-17(7-6-16(12)3)11-5-4-10(8-13)14-15-11/h4-5H,6-9H2,1-3H3
InChIKeyCOGOOZMLFVIVLM-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.75
Rot. Bonds2

About 3-(chloromethyl)-6-(3,3,4-trimethylpiperazin-1-yl)pyridazine

3-(chloromethyl)-6-(3,3,4-trimethylpiperazin-1-yl)pyridazine (PubChem CID 63634840) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(3,3,4-trimethylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-(3,3,4-trimethylpiperazin-1-yl)pyridazine
PubChem CID63634840
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name3-(chloromethyl)-6-(3,3,4-trimethylpiperazin-1-yl)pyridazine
SMILESCN1CCN(c2ccc(CCl)nn2)CC1(C)C
InChIInChI=1S/C12H19ClN4/c1-12(2)9-17(7-6-16(12)3)11-5-4-10(8-13)14-15-11/h4-5H,6-9H2,1-3H3
InChIKeyCOGOOZMLFVIVLM-UHFFFAOYSA-N
XLogP1.75
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 63621118
4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine
CID 63634499
1-[6-(chloromethyl)pyridazin-3-yl]-4-methyl-1,4-diazepane
CID 61255108
3-(azetidin-1-yl)-6-(chloromethyl)pyridazine
CID 130548160
[3-chloro-6-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]methanamine
CID 63620622
4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine
CID 66233004
3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine
CID 61445366
4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride
CID 82036401
3-(chloromethyl)-6-(4-ethylpiperidin-1-yl)pyridazine
CID 61421837
3-(chloromethyl)-6-(3-methylpyrrolidin-1-yl)pyridazine
CID 61257627
4-[6-(chloromethyl)pyridazin-3-yl]-1,4-thiazepane
CID 61419469
4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine
CID 61257804

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(3,3,4-trimethylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-(chloromethyl)-6-(3,3,4-trimethylpiperazin-1-yl)pyridazine (CID 63634840) is 3-(chloromethyl)-6-(3,3,4-trimethylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-(3,3,4-trimethylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-(chloromethyl)-6-(3,3,4-trimethylpiperazin-1-yl)pyridazine is CN1CCN(c2ccc(CCl)nn2)CC1(C)C.
What is the InChIKey of 3-(chloromethyl)-6-(3,3,4-trimethylpiperazin-1-yl)pyridazine?
The InChIKey is COGOOZMLFVIVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-12(2)9-17(7-6-16(12)3)11-5-4-10(8-13)14-15-11/h4-5H,6-9H2,1-3H3.
What are the key properties of 3-(chloromethyl)-6-(3,3,4-trimethylpiperazin-1-yl)pyridazine?
3-(chloromethyl)-6-(3,3,4-trimethylpiperazin-1-yl)pyridazine has a molecular weight of 254.76 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(3,3,4-trimethylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 63634840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).