6-oxo-1-prop-2-ynylpyridazine-3-carboxamide

C8H7N3O2 — CID 142789345

IUPAC6-oxo-1-prop-2-ynylpyridazine-3-carboxamide
SMILESC#CCn1nc(C(N)=O)ccc1=O
InChIInChI=1S/C8H7N3O2/c1-2-5-11-7(12)4-3-6(10-11)8(9)13/h1,3-4H,5H2,(H2,9,13)
InChIKeyMGUIWSFORJEGEB-UHFFFAOYSA-N
MW177.16 g/mol
LogP-1.02
Rot. Bonds2

About 6-oxo-1-prop-2-ynylpyridazine-3-carboxamide

6-oxo-1-prop-2-ynylpyridazine-3-carboxamide (PubChem CID 142789345) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-oxo-1-prop-2-ynylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-prop-2-ynylpyridazine-3-carboxamide
PubChem CID142789345
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name6-oxo-1-prop-2-ynylpyridazine-3-carboxamide
SMILESC#CCn1nc(C(N)=O)ccc1=O
InChIInChI=1S/C8H7N3O2/c1-2-5-11-7(12)4-3-6(10-11)8(9)13/h1,3-4H,5H2,(H2,9,13)
InChIKeyMGUIWSFORJEGEB-UHFFFAOYSA-N
XLogP-1.02
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-1.02
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

1-(2-tert-butylsulfanylethyl)-6-oxopyridazine-3-carboxamide
CID 167800499
6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid
CID 114695804
1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 71914259
1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-3-carboxamide
CID 51101922
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide
CID 121215034
dimethyl 1-prop-2-ynylpyrazole-3,5-dicarboxylate
CID 155292872
6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid
CID 130170703
[4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate
CID 30563601
1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 121066950
1-[(E)-3-chloroprop-2-enyl]-6-oxopyridazine-3-carboxylic acid
CID 114696003
1-nonyl-6-oxopyridazine-3-carboxylic acid
CID 114695797

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-prop-2-ynylpyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-prop-2-ynylpyridazine-3-carboxamide (CID 142789345) is 6-oxo-1-prop-2-ynylpyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-prop-2-ynylpyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-prop-2-ynylpyridazine-3-carboxamide is C#CCn1nc(C(N)=O)ccc1=O.
What is the InChIKey of 6-oxo-1-prop-2-ynylpyridazine-3-carboxamide?
The InChIKey is MGUIWSFORJEGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-2-5-11-7(12)4-3-6(10-11)8(9)13/h1,3-4H,5H2,(H2,9,13).
What are the key properties of 6-oxo-1-prop-2-ynylpyridazine-3-carboxamide?
6-oxo-1-prop-2-ynylpyridazine-3-carboxamide has a molecular weight of 177.16 g/mol, XLogP of -1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-prop-2-ynylpyridazine-3-carboxamide is sourced from PubChem (CID 142789345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).