6-amino-2-but-3-ynylpyridazin-3-one

C8H9N3O — CID 116788174

IUPAC6-amino-2-but-3-ynylpyridazin-3-one
SMILESC#CCCn1nc(N)ccc1=O
InChIInChI=1S/C8H9N3O/c1-2-3-6-11-8(12)5-4-7(9)10-11/h1,4-5H,3,6H2,(H2,9,10)
InChIKeyYUBJTVCXBVHHDO-UHFFFAOYSA-N
MW163.18 g/mol
LogP-0.15
Rot. Bonds2

About 6-amino-2-but-3-ynylpyridazin-3-one

6-amino-2-but-3-ynylpyridazin-3-one (PubChem CID 116788174) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 6-amino-2-but-3-ynylpyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-but-3-ynylpyridazin-3-one
PubChem CID116788174
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name6-amino-2-but-3-ynylpyridazin-3-one
SMILESC#CCCn1nc(N)ccc1=O
InChIInChI=1S/C8H9N3O/c1-2-3-6-11-8(12)5-4-7(9)10-11/h1,4-5H,3,6H2,(H2,9,10)
InChIKeyYUBJTVCXBVHHDO-UHFFFAOYSA-N
XLogP-0.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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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-butan-2-ylpyridazin-3-one;hydrochloride
CID 166653623
2-But-3-ynylpyridazin-3-one
CID 63655432
6-Amino-2-propylpyridazin-3-one
CID 82467415
6-Amino-2-(2-methylpropyl)pyridazin-3-one
CID 82467416
6-Amino-2-butylpyridazin-3-one
CID 82467417
6-Amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 114526571
6-Amino-2-pent-4-ynylpyridazin-3-one
CID 116788192

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-but-3-ynylpyridazin-3-one?
The IUPAC name of 6-amino-2-but-3-ynylpyridazin-3-one (CID 116788174) is 6-amino-2-but-3-ynylpyridazin-3-one.
What is the SMILES notation for 6-amino-2-but-3-ynylpyridazin-3-one?
The canonical SMILES for 6-amino-2-but-3-ynylpyridazin-3-one is C#CCCn1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-but-3-ynylpyridazin-3-one?
The InChIKey is YUBJTVCXBVHHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-2-3-6-11-8(12)5-4-7(9)10-11/h1,4-5H,3,6H2,(H2,9,10).
What are the key properties of 6-amino-2-but-3-ynylpyridazin-3-one?
6-amino-2-but-3-ynylpyridazin-3-one has a molecular weight of 163.18 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-but-3-ynylpyridazin-3-one is sourced from PubChem (CID 116788174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).