6-amino-2-pent-4-ynylpyridazin-3-one

C9H11N3O — CID 116788192

IUPAC6-amino-2-pent-4-ynylpyridazin-3-one
SMILESC#CCCCn1nc(N)ccc1=O
InChIInChI=1S/C9H11N3O/c1-2-3-4-7-12-9(13)6-5-8(10)11-12/h1,5-6H,3-4,7H2,(H2,10,11)
InChIKeyFUGPVEWVOYUGKS-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.24
Rot. Bonds3

About 6-amino-2-pent-4-ynylpyridazin-3-one

6-amino-2-pent-4-ynylpyridazin-3-one (PubChem CID 116788192) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 6-amino-2-pent-4-ynylpyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-pent-4-ynylpyridazin-3-one
PubChem CID116788192
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name6-amino-2-pent-4-ynylpyridazin-3-one
SMILESC#CCCCn1nc(N)ccc1=O
InChIInChI=1S/C9H11N3O/c1-2-3-4-7-12-9(13)6-5-8(10)11-12/h1,5-6H,3-4,7H2,(H2,10,11)
InChIKeyFUGPVEWVOYUGKS-UHFFFAOYSA-N
XLogP0.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(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
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
2-Pent-4-ynylpyridazin-3-one
CID 104092734
6-Amino-2-hexylpyridazin-3-one
CID 116788153
4-(3-Amino-6-oxopyridazin-1-yl)butanenitrile
CID 116788157
6-Amino-2-but-3-ynylpyridazin-3-one
CID 116788174

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-pent-4-ynylpyridazin-3-one?
The IUPAC name of 6-amino-2-pent-4-ynylpyridazin-3-one (CID 116788192) is 6-amino-2-pent-4-ynylpyridazin-3-one.
What is the SMILES notation for 6-amino-2-pent-4-ynylpyridazin-3-one?
The canonical SMILES for 6-amino-2-pent-4-ynylpyridazin-3-one is C#CCCCn1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-pent-4-ynylpyridazin-3-one?
The InChIKey is FUGPVEWVOYUGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-2-3-4-7-12-9(13)6-5-8(10)11-12/h1,5-6H,3-4,7H2,(H2,10,11).
What are the key properties of 6-amino-2-pent-4-ynylpyridazin-3-one?
6-amino-2-pent-4-ynylpyridazin-3-one has a molecular weight of 177.21 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-pent-4-ynylpyridazin-3-one is sourced from PubChem (CID 116788192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).