4-tert-butylpyridazine

C8H12N2 — CID 23383483

IUPAC4-tert-butylpyridazine
SMILESCC(C)(C)c1ccnnc1
InChIInChI=1S/C8H12N2/c1-8(2,3)7-4-5-9-10-6-7/h4-6H,1-3H3
InChIKeyOQSCERIJWXIDGD-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.77
Rot. Bonds

About 4-tert-butylpyridazine

4-tert-butylpyridazine (PubChem CID 23383483) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-tert-butylpyridazine.

Molecular Properties

Compound Name4-tert-butylpyridazine
PubChem CID23383483
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-tert-butylpyridazine
SMILESCC(C)(C)c1ccnnc1
InChIInChI=1S/C8H12N2/c1-8(2,3)7-4-5-9-10-6-7/h4-6H,1-3H3
InChIKeyOQSCERIJWXIDGD-UHFFFAOYSA-N
XLogP1.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylpyridazine?
The IUPAC name of 4-tert-butylpyridazine (CID 23383483) is 4-tert-butylpyridazine.
What is the SMILES notation for 4-tert-butylpyridazine?
The canonical SMILES for 4-tert-butylpyridazine is CC(C)(C)c1ccnnc1.
What is the InChIKey of 4-tert-butylpyridazine?
The InChIKey is OQSCERIJWXIDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-8(2,3)7-4-5-9-10-6-7/h4-6H,1-3H3.
What are the key properties of 4-tert-butylpyridazine?
4-tert-butylpyridazine has a molecular weight of 136.20 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylpyridazine is sourced from PubChem (CID 23383483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).