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

C8H13N3O — CID 163438899

IUPAC6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one
SMILESCC[C@H](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)/t6-/m0/s1
InChIKeyAWVXGCBZZDPTRE-LURJTMIESA-N
MW167.21 g/mol
LogP0.80
Rot. Bonds2

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

6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one (PubChem CID 163438899) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one
PubChem CID163438899
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one
SMILESCC[C@H](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)/t6-/m0/s1
InChIKeyAWVXGCBZZDPTRE-LURJTMIESA-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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Related Compounds

6-Amino-2-methyl-2,3-dihydropyridazin-3-one
CID 15711912
6-Amino-2-ethylpyridazin-3(2H)-one
CID 19739706
6-Amino-2-isopropylpyridazin-3(2H)-one
CID 19739720
2-Butan-2-ylpyridazin-3-one
CID 66921964
2-Butan-2-yl-6-chloropyridazin-3-one
CID 68026459
6-Amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 116788154
2-Ethyl-6-hydrazinylpyridazin-3-one
CID 130672607
6-Amino-2-methylpyridazin-3-one;ethane
CID 154662451
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

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one?
The IUPAC name of 6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one (CID 163438899) is 6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one.
What is the SMILES notation for 6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one?
The canonical SMILES for 6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one is CC[C@H](C)n1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one?
The InChIKey is AWVXGCBZZDPTRE-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of 6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one?
6-amino-2-[(2S)-butan-2-yl]pyridazin-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-[(2S)-butan-2-yl]pyridazin-3-one is sourced from PubChem (CID 163438899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).