3,6-dichloro-1-phenylpyridazin-4-imine

C10H7Cl2N3 — CID 154194484

IUPAC3,6-dichloro-1-phenylpyridazin-4-imine
SMILES[H]/N=c1\cc(Cl)n(-c2ccccc2)nc1Cl
InChIInChI=1S/C10H7Cl2N3/c11-9-6-8(13)10(12)14-15(9)7-4-2-1-3-5-7/h1-6,13H/b13-8+
InChIKeyYZCOKCBOZPLEKM-MDWZMJQESA-N
MW240.09 g/mol
LogP2.66
Rot. Bonds1

About 3,6-dichloro-1-phenylpyridazin-4-imine

3,6-dichloro-1-phenylpyridazin-4-imine (PubChem CID 154194484) has the molecular formula C10H7Cl2N3 and a molecular weight of 240.09 g/mol. Its IUPAC name is 3,6-dichloro-1-phenylpyridazin-4-imine.

Molecular Properties

Compound Name3,6-dichloro-1-phenylpyridazin-4-imine
PubChem CID154194484
Molecular FormulaC10H7Cl2N3
Molecular Weight240.09 g/mol
Exact Mass239.00
IUPAC Name3,6-dichloro-1-phenylpyridazin-4-imine
SMILES[H]/N=c1\cc(Cl)n(-c2ccccc2)nc1Cl
InChIInChI=1S/C10H7Cl2N3/c11-9-6-8(13)10(12)14-15(9)7-4-2-1-3-5-7/h1-6,13H/b13-8+
InChIKeyYZCOKCBOZPLEKM-MDWZMJQESA-N
XLogP2.66
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-1-phenylpyridazin-4-imine?
The IUPAC name of 3,6-dichloro-1-phenylpyridazin-4-imine (CID 154194484) is 3,6-dichloro-1-phenylpyridazin-4-imine.
What is the SMILES notation for 3,6-dichloro-1-phenylpyridazin-4-imine?
The canonical SMILES for 3,6-dichloro-1-phenylpyridazin-4-imine is [H]/N=c1\cc(Cl)n(-c2ccccc2)nc1Cl.
What is the InChIKey of 3,6-dichloro-1-phenylpyridazin-4-imine?
The InChIKey is YZCOKCBOZPLEKM-MDWZMJQESA-N. The full InChI is InChI=1S/C10H7Cl2N3/c11-9-6-8(13)10(12)14-15(9)7-4-2-1-3-5-7/h1-6,13H/b13-8+.
What are the key properties of 3,6-dichloro-1-phenylpyridazin-4-imine?
3,6-dichloro-1-phenylpyridazin-4-imine has a molecular weight of 240.09 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-1-phenylpyridazin-4-imine is sourced from PubChem (CID 154194484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).