3,6-dichloro-5-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]-4H-pyridazine

C11H16Cl2N2 — CID 167062198

IUPAC3,6-dichloro-5-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]-4H-pyridazine
SMILESCC(C)[C@H]1C[C@@H]1C1(C)CC(Cl)=NN=C1Cl
InChIInChI=1S/C11H16Cl2N2/c1-6(2)7-4-8(7)11(3)5-9(12)14-15-10(11)13/h6-8H,4-5H2,1-3H3/t7-,8+,11?/m1/s1
InChIKeyVWAVSDRUJIXRKV-IXIJJPBFSA-N
MW247.17 g/mol
LogP3.88
Rot. Bonds2

About 3,6-dichloro-5-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]-4H-pyridazine

3,6-dichloro-5-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]-4H-pyridazine (PubChem CID 167062198) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 3,6-dichloro-5-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]-4H-pyridazine.

Molecular Properties

Compound Name3,6-dichloro-5-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]-4H-pyridazine
PubChem CID167062198
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name3,6-dichloro-5-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]-4H-pyridazine
SMILESCC(C)[C@H]1C[C@@H]1C1(C)CC(Cl)=NN=C1Cl
InChIInChI=1S/C11H16Cl2N2/c1-6(2)7-4-8(7)11(3)5-9(12)14-15-10(11)13/h6-8H,4-5H2,1-3H3/t7-,8+,11?/m1/s1
InChIKeyVWAVSDRUJIXRKV-IXIJJPBFSA-N
XLogP3.88
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]-4H-pyridazine?
The IUPAC name of 3,6-dichloro-5-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]-4H-pyridazine (CID 167062198) is 3,6-dichloro-5-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]-4H-pyridazine.
What is the SMILES notation for 3,6-dichloro-5-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]-4H-pyridazine?
The canonical SMILES for 3,6-dichloro-5-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]-4H-pyridazine is CC(C)[C@H]1C[C@@H]1C1(C)CC(Cl)=NN=C1Cl.
What is the InChIKey of 3,6-dichloro-5-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]-4H-pyridazine?
The InChIKey is VWAVSDRUJIXRKV-IXIJJPBFSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c1-6(2)7-4-8(7)11(3)5-9(12)14-15-10(11)13/h6-8H,4-5H2,1-3H3/t7-,8+,11?/m1/s1.
What are the key properties of 3,6-dichloro-5-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]-4H-pyridazine?
3,6-dichloro-5-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]-4H-pyridazine has a molecular weight of 247.17 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]-4H-pyridazine is sourced from PubChem (CID 167062198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).