4-butyl-3,6-dichloro-5-methylpyridazine

C9H12Cl2N2 — CID 164864335

IUPAC4-butyl-3,6-dichloro-5-methylpyridazine
SMILESCCCCc1c(Cl)nnc(Cl)c1C
InChIInChI=1S/C9H12Cl2N2/c1-3-4-5-7-6(2)8(10)12-13-9(7)11/h3-5H2,1-2H3
InChIKeyFNUPEQJGOHYGCN-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.43
Rot. Bonds3

About 4-butyl-3,6-dichloro-5-methylpyridazine

4-butyl-3,6-dichloro-5-methylpyridazine (PubChem CID 164864335) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.11 g/mol. Its IUPAC name is 4-butyl-3,6-dichloro-5-methylpyridazine.

Molecular Properties

Compound Name4-butyl-3,6-dichloro-5-methylpyridazine
PubChem CID164864335
Molecular FormulaC9H12Cl2N2
Molecular Weight219.11 g/mol
Exact Mass218.04
IUPAC Name4-butyl-3,6-dichloro-5-methylpyridazine
SMILESCCCCc1c(Cl)nnc(Cl)c1C
InChIInChI=1S/C9H12Cl2N2/c1-3-4-5-7-6(2)8(10)12-13-9(7)11/h3-5H2,1-2H3
InChIKeyFNUPEQJGOHYGCN-UHFFFAOYSA-N
XLogP3.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,6-dichloro-5-methylpyridazin-4-yl)propan-1-ol
CID 155593827
lithium 3-(3,6-dichloro-5-methylpyridazin-4-yl)propan-1-one
CID 171838239
4-butyl-2,3,5,6-tetrachloropyridine
CID 71357980
1,3,5-tributyl-2,4,6-trimethylbenzene
CID 123628431
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
2-(3,6-dichloro-5-methylpyridazin-4-yl)acetaldehyde
CID 155593309
2-butyl-4,6-dichloro-5-propylpyrimidine
CID 79404356
5-butyl-6-chloropyrimidin-4-amine
CID 100590844
6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine
CID 63271524
1,3,5-tributyl-2,4,6-triethylbenzene
CID 10925571
2-(3,6-dichloro-5-methylpyridazin-4-yl)ethyl 4-methylbenzenesulfonate
CID 171535563
6-butyl-N,4,5-trimethylpyridazin-3-amine
CID 106659403

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3,6-dichloro-5-methylpyridazine?
The IUPAC name of 4-butyl-3,6-dichloro-5-methylpyridazine (CID 164864335) is 4-butyl-3,6-dichloro-5-methylpyridazine.
What is the SMILES notation for 4-butyl-3,6-dichloro-5-methylpyridazine?
The canonical SMILES for 4-butyl-3,6-dichloro-5-methylpyridazine is CCCCc1c(Cl)nnc(Cl)c1C.
What is the InChIKey of 4-butyl-3,6-dichloro-5-methylpyridazine?
The InChIKey is FNUPEQJGOHYGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-3-4-5-7-6(2)8(10)12-13-9(7)11/h3-5H2,1-2H3.
What are the key properties of 4-butyl-3,6-dichloro-5-methylpyridazine?
4-butyl-3,6-dichloro-5-methylpyridazine has a molecular weight of 219.11 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3,6-dichloro-5-methylpyridazine is sourced from PubChem (CID 164864335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).