3-tert-butyl-5,5-dimethyl-4H-pyridazine

C10H18N2 — CID 123571720

IUPAC3-tert-butyl-5,5-dimethyl-4H-pyridazine
SMILESCC1(C)C=NN=C(C(C)(C)C)C1
InChIInChI=1S/C10H18N2/c1-9(2,3)8-6-10(4,5)7-11-12-8/h7H,6H2,1-5H3
InChIKeyIOMXKABDPNFORR-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.89
Rot. Bonds

About 3-tert-butyl-5,5-dimethyl-4H-pyridazine

3-tert-butyl-5,5-dimethyl-4H-pyridazine (PubChem CID 123571720) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-tert-butyl-5,5-dimethyl-4H-pyridazine.

Molecular Properties

Compound Name3-tert-butyl-5,5-dimethyl-4H-pyridazine
PubChem CID123571720
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-tert-butyl-5,5-dimethyl-4H-pyridazine
SMILESCC1(C)C=NN=C(C(C)(C)C)C1
InChIInChI=1S/C10H18N2/c1-9(2,3)8-6-10(4,5)7-11-12-8/h7H,6H2,1-5H3
InChIKeyIOMXKABDPNFORR-UHFFFAOYSA-N
XLogP2.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,5-dimethyl-4H-pyridazine?
The IUPAC name of 3-tert-butyl-5,5-dimethyl-4H-pyridazine (CID 123571720) is 3-tert-butyl-5,5-dimethyl-4H-pyridazine.
What is the SMILES notation for 3-tert-butyl-5,5-dimethyl-4H-pyridazine?
The canonical SMILES for 3-tert-butyl-5,5-dimethyl-4H-pyridazine is CC1(C)C=NN=C(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-5,5-dimethyl-4H-pyridazine?
The InChIKey is IOMXKABDPNFORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(2,3)8-6-10(4,5)7-11-12-8/h7H,6H2,1-5H3.
What are the key properties of 3-tert-butyl-5,5-dimethyl-4H-pyridazine?
3-tert-butyl-5,5-dimethyl-4H-pyridazine has a molecular weight of 166.27 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,5-dimethyl-4H-pyridazine is sourced from PubChem (CID 123571720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).