6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one

C16H26N6O2 — CID 167580727

IUPAC6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one
SMILESCC[C@@H](C)n1nc(N)ccc1=O.CC[C@H](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)/t2*6-/m10/s1
InChIKeyHDKPIMIQCWTVHW-MTPWEOJCSA-N
MW334.42 g/mol
LogP1.59
Rot. Bonds4

About 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one

6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one (PubChem CID 167580727) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one
PubChem CID167580727
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one
SMILESCC[C@@H](C)n1nc(N)ccc1=O.CC[C@H](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)/t2*6-/m10/s1
InChIKeyHDKPIMIQCWTVHW-MTPWEOJCSA-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

Analyze 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one with MolForge

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Related Compounds

6-Amino-2-ethylpyridazin-3(2H)-one
CID 19739706
6-Amino-2-isopropylpyridazin-3(2H)-one
CID 19739720
6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one
CID 163438899
6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one
CID 163438900
6-Amino-2-butan-2-ylpyridazin-3-one
CID 165381257
6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-butan-2-ylpyridazin-3-one
CID 166653549
6-Amino-2-butan-2-ylpyridazin-3-one
CID 166653550
6-Amino-2-butan-2-ylpyridazin-3-one;hydrochloride
CID 166653623
6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;methane
CID 167626900
6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;1-[(2R)-butan-2-yl]-6-methylidenepyridazin-3-amine;methane
CID 167680258
2-(4-Aminobutyl)-6-(dimethylamino)pyridazin-3-one
CID 13103556
N-(Butan-2-yl)-N-(6-oxo-1,6-dihydropyridazin-3-yl)acetamide
CID 13274973

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one?
The IUPAC name of 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one (CID 167580727) is 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one.
What is the SMILES notation for 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one?
The canonical SMILES for 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one is CC[C@@H](C)n1nc(N)ccc1=O.CC[C@H](C)n1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one?
The InChIKey is HDKPIMIQCWTVHW-MTPWEOJCSA-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)/t2*6-/m10/s1.
What are the key properties of 6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one?
6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-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-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one is sourced from PubChem (CID 167580727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).