1,2-ditert-butylpyridazine

C12H22N2 — CID 70583194

IUPAC1,2-ditert-butylpyridazine
SMILESCC(C)(C)N1C=CC=CN1C(C)(C)C
InChIInChI=1S/C12H22N2/c1-11(2,3)13-9-7-8-10-14(13)12(4,5)6/h7-10H,1-6H3
InChIKeyLGNCTOODWJNFRX-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.14
Rot. Bonds

About 1,2-ditert-butylpyridazine

1,2-ditert-butylpyridazine (PubChem CID 70583194) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1,2-ditert-butylpyridazine.

Molecular Properties

Compound Name1,2-ditert-butylpyridazine
PubChem CID70583194
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1,2-ditert-butylpyridazine
SMILESCC(C)(C)N1C=CC=CN1C(C)(C)C
InChIInChI=1S/C12H22N2/c1-11(2,3)13-9-7-8-10-14(13)12(4,5)6/h7-10H,1-6H3
InChIKeyLGNCTOODWJNFRX-UHFFFAOYSA-N
XLogP3.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butylpyridazine?
The IUPAC name of 1,2-ditert-butylpyridazine (CID 70583194) is 1,2-ditert-butylpyridazine.
What is the SMILES notation for 1,2-ditert-butylpyridazine?
The canonical SMILES for 1,2-ditert-butylpyridazine is CC(C)(C)N1C=CC=CN1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butylpyridazine?
The InChIKey is LGNCTOODWJNFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2,3)13-9-7-8-10-14(13)12(4,5)6/h7-10H,1-6H3.
What are the key properties of 1,2-ditert-butylpyridazine?
1,2-ditert-butylpyridazine has a molecular weight of 194.32 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butylpyridazine is sourced from PubChem (CID 70583194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).