4-tert-butyl-3-chloro-6-methylpyridazine

C9H13ClN2 — CID 15054336

IUPAC4-tert-butyl-3-chloro-6-methylpyridazine
SMILESCc1cc(C(C)(C)C)c(Cl)nn1
InChIInChI=1S/C9H13ClN2/c1-6-5-7(9(2,3)4)8(10)12-11-6/h5H,1-4H3
InChIKeyFQGLWROHHZMIBW-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.74
Rot. Bonds

About 4-tert-butyl-3-chloro-6-methylpyridazine

4-tert-butyl-3-chloro-6-methylpyridazine (PubChem CID 15054336) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 4-tert-butyl-3-chloro-6-methylpyridazine.

Molecular Properties

Compound Name4-tert-butyl-3-chloro-6-methylpyridazine
PubChem CID15054336
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name4-tert-butyl-3-chloro-6-methylpyridazine
SMILESCc1cc(C(C)(C)C)c(Cl)nn1
InChIInChI=1S/C9H13ClN2/c1-6-5-7(9(2,3)4)8(10)12-11-6/h5H,1-4H3
InChIKeyFQGLWROHHZMIBW-UHFFFAOYSA-N
XLogP2.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-chloro-6-methylpyridazine?
The IUPAC name of 4-tert-butyl-3-chloro-6-methylpyridazine (CID 15054336) is 4-tert-butyl-3-chloro-6-methylpyridazine.
What is the SMILES notation for 4-tert-butyl-3-chloro-6-methylpyridazine?
The canonical SMILES for 4-tert-butyl-3-chloro-6-methylpyridazine is Cc1cc(C(C)(C)C)c(Cl)nn1.
What is the InChIKey of 4-tert-butyl-3-chloro-6-methylpyridazine?
The InChIKey is FQGLWROHHZMIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-6-5-7(9(2,3)4)8(10)12-11-6/h5H,1-4H3.
What are the key properties of 4-tert-butyl-3-chloro-6-methylpyridazine?
4-tert-butyl-3-chloro-6-methylpyridazine has a molecular weight of 184.67 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-chloro-6-methylpyridazine is sourced from PubChem (CID 15054336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).