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

C16H26N6O2 — CID 166653550

IUPAC6-amino-2-butan-2-ylpyridazin-3-one
SMILESCCC(C)n1nc(N)ccc1=O.CCC(C)n1nc(N)ccc1=O
InChIInChI=1S/2C8H13N3O/c2*1-3-6(2)11-8(12)5-4-7(9)10-11/h2*4-6H,3H2,1-2H3,(H2,9,10)
InChIKeyHDKPIMIQCWTVHW-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.59
Rot. Bonds4

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

6-amino-2-butan-2-ylpyridazin-3-one (PubChem CID 166653550) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 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 CID166653550
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name6-amino-2-butan-2-ylpyridazin-3-one
SMILESCCC(C)n1nc(N)ccc1=O.CCC(C)n1nc(N)ccc1=O
InChIInChI=1S/2C8H13N3O/c2*1-3-6(2)11-8(12)5-4-7(9)10-11/h2*4-6H,3H2,1-2H3,(H2,9,10)
InChIKeyHDKPIMIQCWTVHW-UHFFFAOYSA-N
XLogP1.59
TPSA121.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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 166653550) 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.CCC(C)n1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-butan-2-ylpyridazin-3-one?
The InChIKey is HDKPIMIQCWTVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H13N3O/c2*1-3-6(2)11-8(12)5-4-7(9)10-11/h2*4-6H,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 334.42 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 8 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 166653550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).