3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine

C16H12Cl4N8 — CID 155683259

IUPAC3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine
SMILESCn1nccc1-c1cc(Cl)nnc1Cl.Cn1nccc1-c1cc(Cl)nnc1Cl
InChIInChI=1S/2C8H6Cl2N4/c2*1-14-6(2-3-11-14)5-4-7(9)12-13-8(5)10/h2*2-4H,1H3
InChIKeyZMTXZIYZWYFHDA-UHFFFAOYSA-N
MW458.14 g/mol
LogP4.37
Rot. Bonds2

About 3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine

3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine (PubChem CID 155683259) has the molecular formula C16H12Cl4N8 and a molecular weight of 458.14 g/mol. Its IUPAC name is 3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine
PubChem CID155683259
Molecular FormulaC16H12Cl4N8
Molecular Weight458.14 g/mol
Exact Mass455.99
IUPAC Name3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine
SMILESCn1nccc1-c1cc(Cl)nnc1Cl.Cn1nccc1-c1cc(Cl)nnc1Cl
InChIInChI=1S/2C8H6Cl2N4/c2*1-14-6(2-3-11-14)5-4-7(9)12-13-8(5)10/h2*2-4H,1H3
InChIKeyZMTXZIYZWYFHDA-UHFFFAOYSA-N
XLogP4.37
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.14
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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5-(2,4-dimethylphenyl)-1-methylpyrazole
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5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole
CID 116869199
4-tert-butyl-2-(2-methylpyrazol-3-yl)aniline
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1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine
CID 66160906
4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine
CID 114553959
3-chloro-5-(2-methylpyrazol-3-yl)pyridine
CID 140655904
[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine
CID 81447352
[4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine
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CID 122568225

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine?
The IUPAC name of 3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine (CID 155683259) is 3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine?
The canonical SMILES for 3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine is Cn1nccc1-c1cc(Cl)nnc1Cl.Cn1nccc1-c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine?
The InChIKey is ZMTXZIYZWYFHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6Cl2N4/c2*1-14-6(2-3-11-14)5-4-7(9)12-13-8(5)10/h2*2-4H,1H3.
What are the key properties of 3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine?
3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine has a molecular weight of 458.14 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine is sourced from PubChem (CID 155683259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).