4-(3,3-dimethylbutan-2-yl)-5-methylpyridazine

C11H18N2 — CID 176739154

IUPAC4-(3,3-dimethylbutan-2-yl)-5-methylpyridazine
SMILESCc1cnncc1C(C)C(C)(C)C
InChIInChI=1S/C11H18N2/c1-8-6-12-13-7-10(8)9(2)11(3,4)5/h6-7,9H,1-5H3
InChIKeyYOHQYULXOWQYMV-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.93
Rot. Bonds1

About 4-(3,3-dimethylbutan-2-yl)-5-methylpyridazine

4-(3,3-dimethylbutan-2-yl)-5-methylpyridazine (PubChem CID 176739154) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(3,3-dimethylbutan-2-yl)-5-methylpyridazine.

Molecular Properties

Compound Name4-(3,3-dimethylbutan-2-yl)-5-methylpyridazine
PubChem CID176739154
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(3,3-dimethylbutan-2-yl)-5-methylpyridazine
SMILESCc1cnncc1C(C)C(C)(C)C
InChIInChI=1S/C11H18N2/c1-8-6-12-13-7-10(8)9(2)11(3,4)5/h6-7,9H,1-5H3
InChIKeyYOHQYULXOWQYMV-UHFFFAOYSA-N
XLogP2.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutan-2-yl)-5-methylpyridazine?
The IUPAC name of 4-(3,3-dimethylbutan-2-yl)-5-methylpyridazine (CID 176739154) is 4-(3,3-dimethylbutan-2-yl)-5-methylpyridazine.
What is the SMILES notation for 4-(3,3-dimethylbutan-2-yl)-5-methylpyridazine?
The canonical SMILES for 4-(3,3-dimethylbutan-2-yl)-5-methylpyridazine is Cc1cnncc1C(C)C(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbutan-2-yl)-5-methylpyridazine?
The InChIKey is YOHQYULXOWQYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-6-12-13-7-10(8)9(2)11(3,4)5/h6-7,9H,1-5H3.
What are the key properties of 4-(3,3-dimethylbutan-2-yl)-5-methylpyridazine?
4-(3,3-dimethylbutan-2-yl)-5-methylpyridazine has a molecular weight of 178.28 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutan-2-yl)-5-methylpyridazine is sourced from PubChem (CID 176739154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).