1-tert-butylpyridazine

C8H12N2 — CID 126513855

IUPAC1-tert-butylpyridazine
SMILESCC(C)(C)N1C=CC=C=N1
InChIInChI=1S/C8H12N2/c1-8(2,3)10-7-5-4-6-9-10/h4-5,7H,1-3H3
InChIKeyULVGSEKDZUBJIH-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.76
Rot. Bonds

About 1-tert-butylpyridazine

1-tert-butylpyridazine (PubChem CID 126513855) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-tert-butylpyridazine.

Molecular Properties

Compound Name1-tert-butylpyridazine
PubChem CID126513855
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-tert-butylpyridazine
SMILESCC(C)(C)N1C=CC=C=N1
InChIInChI=1S/C8H12N2/c1-8(2,3)10-7-5-4-6-9-10/h4-5,7H,1-3H3
InChIKeyULVGSEKDZUBJIH-UHFFFAOYSA-N
XLogP1.76
TPSA15.60 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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyridazine?
The IUPAC name of 1-tert-butylpyridazine (CID 126513855) is 1-tert-butylpyridazine.
What is the SMILES notation for 1-tert-butylpyridazine?
The canonical SMILES for 1-tert-butylpyridazine is CC(C)(C)N1C=CC=C=N1.
What is the InChIKey of 1-tert-butylpyridazine?
The InChIKey is ULVGSEKDZUBJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-8(2,3)10-7-5-4-6-9-10/h4-5,7H,1-3H3.
What are the key properties of 1-tert-butylpyridazine?
1-tert-butylpyridazine has a molecular weight of 136.20 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpyridazine is sourced from PubChem (CID 126513855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).