4-amino-2-tert-butylpyridazin-3-one

C8H13N3O — CID 11321180

IUPAC4-amino-2-tert-butylpyridazin-3-one
SMILESCC(C)(C)n1nccc(N)c1=O
InChIInChI=1S/C8H13N3O/c1-8(2,3)11-7(12)6(9)4-5-10-11/h4-5H,9H2,1-3H3
InChIKeyWIQJOJQLTBOLGT-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.58
Rot. Bonds

About 4-amino-2-tert-butylpyridazin-3-one

4-amino-2-tert-butylpyridazin-3-one (PubChem CID 11321180) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-amino-2-tert-butylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-tert-butylpyridazin-3-one
PubChem CID11321180
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-amino-2-tert-butylpyridazin-3-one
SMILESCC(C)(C)n1nccc(N)c1=O
InChIInChI=1S/C8H13N3O/c1-8(2,3)11-7(12)6(9)4-5-10-11/h4-5H,9H2,1-3H3
InChIKeyWIQJOJQLTBOLGT-UHFFFAOYSA-N
XLogP0.58
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-tert-butylpyridazin-3-one?
The IUPAC name of 4-amino-2-tert-butylpyridazin-3-one (CID 11321180) is 4-amino-2-tert-butylpyridazin-3-one.
What is the SMILES notation for 4-amino-2-tert-butylpyridazin-3-one?
The canonical SMILES for 4-amino-2-tert-butylpyridazin-3-one is CC(C)(C)n1nccc(N)c1=O.
What is the InChIKey of 4-amino-2-tert-butylpyridazin-3-one?
The InChIKey is WIQJOJQLTBOLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(2,3)11-7(12)6(9)4-5-10-11/h4-5H,9H2,1-3H3.
What are the key properties of 4-amino-2-tert-butylpyridazin-3-one?
4-amino-2-tert-butylpyridazin-3-one has a molecular weight of 167.21 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-tert-butylpyridazin-3-one is sourced from PubChem (CID 11321180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).