6-amino-2-butan-2-ylpyridazin-3-one

C8H13N3O — CID 165381257

IUPAC6-amino-2-butan-2-ylpyridazin-3-one
SMILESCCC(C)n1nc(N)ccc1=O
InChIInChI=1S/C8H13N3O/c1-3-6(2)11-8(12)5-4-7(9)10-11/h4-6H,3H2,1-2H3,(H2,9,10)
InChIKeyAWVXGCBZZDPTRE-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.80
Rot. Bonds2

About 6-amino-2-butan-2-ylpyridazin-3-one

6-amino-2-butan-2-ylpyridazin-3-one (PubChem CID 165381257) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-amino-2-butan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-butan-2-ylpyridazin-3-one
PubChem CID165381257
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name6-amino-2-butan-2-ylpyridazin-3-one
SMILESCCC(C)n1nc(N)ccc1=O
InChIInChI=1S/C8H13N3O/c1-3-6(2)11-8(12)5-4-7(9)10-11/h4-6H,3H2,1-2H3,(H2,9,10)
InChIKeyAWVXGCBZZDPTRE-UHFFFAOYSA-N
XLogP0.80
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-butan-2-ylpyridazin-3-one?
The IUPAC name of 6-amino-2-butan-2-ylpyridazin-3-one (CID 165381257) is 6-amino-2-butan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-amino-2-butan-2-ylpyridazin-3-one?
The canonical SMILES for 6-amino-2-butan-2-ylpyridazin-3-one is CCC(C)n1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-butan-2-ylpyridazin-3-one?
The InChIKey is AWVXGCBZZDPTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-6(2)11-8(12)5-4-7(9)10-11/h4-6H,3H2,1-2H3,(H2,9,10).
What are the key properties of 6-amino-2-butan-2-ylpyridazin-3-one?
6-amino-2-butan-2-ylpyridazin-3-one has a molecular weight of 167.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-butan-2-ylpyridazin-3-one is sourced from PubChem (CID 165381257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).