4-chloro-3-[(E)-3-ethylhex-1-enyl]pyridazine

C12H17ClN2 — CID 134454728

IUPAC4-chloro-3-[(E)-3-ethylhex-1-enyl]pyridazine
SMILESCCCC(/C=C/c1nnccc1Cl)CC
InChIInChI=1S/C12H17ClN2/c1-3-5-10(4-2)6-7-12-11(13)8-9-14-15-12/h6-10H,3-5H2,1-2H3/b7-6+
InChIKeyRERGDZNAJSDORL-VOTSOKGWSA-N
MW224.74 g/mol
LogP3.97
Rot. Bonds5

About 4-chloro-3-[(E)-3-ethylhex-1-enyl]pyridazine

4-chloro-3-[(E)-3-ethylhex-1-enyl]pyridazine (PubChem CID 134454728) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 4-chloro-3-[(E)-3-ethylhex-1-enyl]pyridazine.

Molecular Properties

Compound Name4-chloro-3-[(E)-3-ethylhex-1-enyl]pyridazine
PubChem CID134454728
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name4-chloro-3-[(E)-3-ethylhex-1-enyl]pyridazine
SMILESCCCC(/C=C/c1nnccc1Cl)CC
InChIInChI=1S/C12H17ClN2/c1-3-5-10(4-2)6-7-12-11(13)8-9-14-15-12/h6-10H,3-5H2,1-2H3/b7-6+
InChIKeyRERGDZNAJSDORL-VOTSOKGWSA-N
XLogP3.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(E)-3-ethylhex-1-enyl]pyridazine?
The IUPAC name of 4-chloro-3-[(E)-3-ethylhex-1-enyl]pyridazine (CID 134454728) is 4-chloro-3-[(E)-3-ethylhex-1-enyl]pyridazine.
What is the SMILES notation for 4-chloro-3-[(E)-3-ethylhex-1-enyl]pyridazine?
The canonical SMILES for 4-chloro-3-[(E)-3-ethylhex-1-enyl]pyridazine is CCCC(/C=C/c1nnccc1Cl)CC.
What is the InChIKey of 4-chloro-3-[(E)-3-ethylhex-1-enyl]pyridazine?
The InChIKey is RERGDZNAJSDORL-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-3-5-10(4-2)6-7-12-11(13)8-9-14-15-12/h6-10H,3-5H2,1-2H3/b7-6+.
What are the key properties of 4-chloro-3-[(E)-3-ethylhex-1-enyl]pyridazine?
4-chloro-3-[(E)-3-ethylhex-1-enyl]pyridazine has a molecular weight of 224.74 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(E)-3-ethylhex-1-enyl]pyridazine is sourced from PubChem (CID 134454728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).