5-amino-2-prop-2-ynylpyridazin-3-one

C7H7N3O — CID 103218293

IUPAC5-amino-2-prop-2-ynylpyridazin-3-one
SMILESC#CCn1ncc(N)cc1=O
InChIInChI=1S/C7H7N3O/c1-2-3-10-7(11)4-6(8)5-9-10/h1,4-5H,3,8H2
InChIKeyVXTFTRUXJBUXFU-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.54
Rot. Bonds1

About 5-amino-2-prop-2-ynylpyridazin-3-one

5-amino-2-prop-2-ynylpyridazin-3-one (PubChem CID 103218293) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 5-amino-2-prop-2-ynylpyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-prop-2-ynylpyridazin-3-one
PubChem CID103218293
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name5-amino-2-prop-2-ynylpyridazin-3-one
SMILESC#CCn1ncc(N)cc1=O
InChIInChI=1S/C7H7N3O/c1-2-3-10-7(11)4-6(8)5-9-10/h1,4-5H,3,8H2
InChIKeyVXTFTRUXJBUXFU-UHFFFAOYSA-N
XLogP-0.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.54
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

5-Amino-2-methyl-2,3-dihydropyridazin-3-one
CID 10558626
5-Amino-2-propan-2-ylpyridazin-3-one
CID 20513821
5-(Ethylamino)-2-methylpyridazin-3-one
CID 10487061
2-Methyl-5-(methylamino)pyridazin-3(2H)-one
CID 10510928
5-Amino-2-(2-methylpropyl)pyridazin-3-one
CID 103218168
2-(4-Amino-6-oxopyridazin-1-yl)acetonitrile
CID 103218174
5-Amino-2-pent-3-ynylpyridazin-3-one
CID 103218205
5-Amino-2-propylpyridazin-3-one
CID 103218210
5-Amino-2-but-3-ynylpyridazin-3-one
CID 103218235
5-Amino-2-butylpyridazin-3-one
CID 103218271
5-Amino-2-ethylpyridazin-3-one
CID 103218288
5-Amino-2-pent-4-ynylpyridazin-3-one
CID 103218413

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-prop-2-ynylpyridazin-3-one?
The IUPAC name of 5-amino-2-prop-2-ynylpyridazin-3-one (CID 103218293) is 5-amino-2-prop-2-ynylpyridazin-3-one.
What is the SMILES notation for 5-amino-2-prop-2-ynylpyridazin-3-one?
The canonical SMILES for 5-amino-2-prop-2-ynylpyridazin-3-one is C#CCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-prop-2-ynylpyridazin-3-one?
The InChIKey is VXTFTRUXJBUXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-2-3-10-7(11)4-6(8)5-9-10/h1,4-5H,3,8H2.
What are the key properties of 5-amino-2-prop-2-ynylpyridazin-3-one?
5-amino-2-prop-2-ynylpyridazin-3-one has a molecular weight of 149.15 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-prop-2-ynylpyridazin-3-one is sourced from PubChem (CID 103218293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).