3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine

C10H15ClN4 — CID 114478419

IUPAC3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine
SMILESCCN1CCN(c2cnnc(Cl)c2)CC1
InChIInChI=1S/C10H15ClN4/c1-2-14-3-5-15(6-4-14)9-7-10(11)13-12-8-9/h7-8H,2-6H2,1H3
InChIKeyJPLIUBKZZNTLBP-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.27
Rot. Bonds2

About 3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine

3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine (PubChem CID 114478419) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine
PubChem CID114478419
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine
SMILESCCN1CCN(c2cnnc(Cl)c2)CC1
InChIInChI=1S/C10H15ClN4/c1-2-14-3-5-15(6-4-14)9-7-10(11)13-12-8-9/h7-8H,2-6H2,1H3
InChIKeyJPLIUBKZZNTLBP-UHFFFAOYSA-N
XLogP1.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-(5-methoxy-3-pyridinyl)piperazine
CID 22053538
1-ethyl-4-(5-propan-2-yl-3-pyridinyl)piperazine
CID 58563451
5-(4-benzylpiperidin-1-yl)-3-chloropyridazine
CID 114478453
4-(6-chloropyridazin-4-yl)-2,2-dimethylmorpholine
CID 114478121
1-chloro-6-(4-ethylpiperazin-1-yl)-2,3-dihydroindole
CID 154153085
2-chloro-4-(4-ethylpiperazin-1-yl)phenol
CID 71406560
(1R)-1-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355072
2-(4-ethylpiperazin-1-yl)-5-methylpyridin-4-amine
CID 83265203
2-(6-chloropyridazin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 114478326
5-tert-butyl-3-chloropyridazine
CID 138722408
1-(3,5-dimethoxyphenyl)-4-ethylpiperazine
CID 143598581
1-[6-chloro-4-(methoxymethyl)-3-pyridinyl]-4-ethylpiperazine
CID 169281102

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine (CID 114478419) is 3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine is CCN1CCN(c2cnnc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine?
The InChIKey is JPLIUBKZZNTLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-2-14-3-5-15(6-4-14)9-7-10(11)13-12-8-9/h7-8H,2-6H2,1H3.
What are the key properties of 3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine?
3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine has a molecular weight of 226.71 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 114478419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).