6-oxo-N-prop-2-enyl-1-propylpyridazine-3-carboxamide

C11H15N3O2 — CID 30880092

IUPAC6-oxo-N-prop-2-enyl-1-propylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(=O)n(CCC)n1
InChIInChI=1S/C11H15N3O2/c1-3-7-12-11(16)9-5-6-10(15)14(13-9)8-4-2/h3,5-6H,1,4,7-8H2,2H3,(H,12,16)
InChIKeyKHBSSRGYARANHW-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.57
Rot. Bonds5

About 6-oxo-N-prop-2-enyl-1-propylpyridazine-3-carboxamide

6-oxo-N-prop-2-enyl-1-propylpyridazine-3-carboxamide (PubChem CID 30880092) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-oxo-N-prop-2-enyl-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-prop-2-enyl-1-propylpyridazine-3-carboxamide
PubChem CID30880092
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name6-oxo-N-prop-2-enyl-1-propylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(=O)n(CCC)n1
InChIInChI=1S/C11H15N3O2/c1-3-7-12-11(16)9-5-6-10(15)14(13-9)8-4-2/h3,5-6H,1,4,7-8H2,2H3,(H,12,16)
InChIKeyKHBSSRGYARANHW-UHFFFAOYSA-N
XLogP0.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-prop-2-enyl-1-propylpyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-prop-2-enyl-1-propylpyridazine-3-carboxamide (CID 30880092) is 6-oxo-N-prop-2-enyl-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-prop-2-enyl-1-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-prop-2-enyl-1-propylpyridazine-3-carboxamide is C=CCNC(=O)c1ccc(=O)n(CCC)n1.
What is the InChIKey of 6-oxo-N-prop-2-enyl-1-propylpyridazine-3-carboxamide?
The InChIKey is KHBSSRGYARANHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-7-12-11(16)9-5-6-10(15)14(13-9)8-4-2/h3,5-6H,1,4,7-8H2,2H3,(H,12,16).
What are the key properties of 6-oxo-N-prop-2-enyl-1-propylpyridazine-3-carboxamide?
6-oxo-N-prop-2-enyl-1-propylpyridazine-3-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-prop-2-enyl-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 30880092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).