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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Related Compounds

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CID 2735771
5-chloro-3-methyl-1-phenylpyrazole;formyl chloride
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4-(5-chloro-3-phenylpyrazol-1-yl)benzonitrile
CID 66020965
6-imino-1-phenyl-3-N-(2,4,6-trichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 1492807
5-chloro-4-methyl-1,3-diphenylpyrazole
CID 104847504
4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride
CID 53433774
(5-methyl-2-phenylpyrazol-3-yl)hydrazine
CID 55279869
1-(6-imino-4-methyl-1-phenylpyridazin-3-yl)ethanone
CID 23659234
3-chloro-5-methyl-1-phenyl-1,2,4-triazole
CID 30032671
5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole
CID 139225206
5-chloro-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
CID 115043942
10,13-dichloro-4-phenyl-2,4,5,11,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene
CID 10064325

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).