3,6-dichloro-4,5-bis(1-methylcyclopropyl)pyridazine

C12H14Cl2N2 — CID 14024167

IUPAC3,6-dichloro-4,5-bis(1-methylcyclopropyl)pyridazine
SMILESCC1(c2c(Cl)nnc(Cl)c2C2(C)CC2)CC1
InChIInChI=1S/C12H14Cl2N2/c1-11(3-4-11)7-8(12(2)5-6-12)10(14)16-15-9(7)13/h3-6H2,1-2H3
InChIKeyBHUHECKHFWCVFO-UHFFFAOYSA-N
MW257.16 g/mol
LogP3.89
Rot. Bonds2

About 3,6-dichloro-4,5-bis(1-methylcyclopropyl)pyridazine

3,6-dichloro-4,5-bis(1-methylcyclopropyl)pyridazine (PubChem CID 14024167) has the molecular formula C12H14Cl2N2 and a molecular weight of 257.16 g/mol. Its IUPAC name is 3,6-dichloro-4,5-bis(1-methylcyclopropyl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4,5-bis(1-methylcyclopropyl)pyridazine
PubChem CID14024167
Molecular FormulaC12H14Cl2N2
Molecular Weight257.16 g/mol
Exact Mass256.05
IUPAC Name3,6-dichloro-4,5-bis(1-methylcyclopropyl)pyridazine
SMILESCC1(c2c(Cl)nnc(Cl)c2C2(C)CC2)CC1
InChIInChI=1S/C12H14Cl2N2/c1-11(3-4-11)7-8(12(2)5-6-12)10(14)16-15-9(7)13/h3-6H2,1-2H3
InChIKeyBHUHECKHFWCVFO-UHFFFAOYSA-N
XLogP3.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dichloro-5,6,7,8-tetrahydrophthalazine
CID 12622440
3,6-Dichloro-4-(1-fluorobutan-2-yl)-5-propylpyridazine
CID 21281868
3,6-dichloro-4-[(2S)-1-fluorobutan-2-yl]-5-propylpyridazine
CID 88671298
3,6-Dichloro-4-cyclopropyl-5-(trifluoromethyl)pyridazine
CID 156474885
Pyridazine, 3,6-dichloro-4,5-bis(1-methylethyl)-
CID 13755461
3,6-Dichloro-4,5-diethylpyridazine
CID 13755462
3,6-Dichloro-4-(2-methylpentan-2-yl)pyridazine
CID 14024165
3,6-Dichloro-4-(1-methylcyclopropyl)pyridazine
CID 14024166
3,6-Dichloro-4-(1-chloro-2-methylpropan-2-yl)-5-methylpyridazine
CID 14349843
1,4-Dichloro-5,5-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyridazine
CID 15401909
3,6-Dichloro-4,5-di(cyclobutyl)pyridazine
CID 20225785
3,6-Dichloro-4,5-dipropylpyridazine
CID 20225787

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4,5-bis(1-methylcyclopropyl)pyridazine?
The IUPAC name of 3,6-dichloro-4,5-bis(1-methylcyclopropyl)pyridazine (CID 14024167) is 3,6-dichloro-4,5-bis(1-methylcyclopropyl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4,5-bis(1-methylcyclopropyl)pyridazine?
The canonical SMILES for 3,6-dichloro-4,5-bis(1-methylcyclopropyl)pyridazine is CC1(c2c(Cl)nnc(Cl)c2C2(C)CC2)CC1.
What is the InChIKey of 3,6-dichloro-4,5-bis(1-methylcyclopropyl)pyridazine?
The InChIKey is BHUHECKHFWCVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2/c1-11(3-4-11)7-8(12(2)5-6-12)10(14)16-15-9(7)13/h3-6H2,1-2H3.
What are the key properties of 3,6-dichloro-4,5-bis(1-methylcyclopropyl)pyridazine?
3,6-dichloro-4,5-bis(1-methylcyclopropyl)pyridazine has a molecular weight of 257.16 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4,5-bis(1-methylcyclopropyl)pyridazine is sourced from PubChem (CID 14024167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).