N-pyridazin-3-ylprop-2-enamide

C7H7N3O — CID 116786507

IUPACN-pyridazin-3-ylprop-2-enamide
SMILESC=CC(=O)Nc1cccnn1
InChIInChI=1S/C7H7N3O/c1-2-7(11)9-6-4-3-5-8-10-6/h2-5H,1H2,(H,9,10,11)
InChIKeyYKJQEEJAWZJGCG-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.60
Rot. Bonds2

About N-pyridazin-3-ylprop-2-enamide

N-pyridazin-3-ylprop-2-enamide (PubChem CID 116786507) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is N-pyridazin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-pyridazin-3-ylprop-2-enamide
PubChem CID116786507
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC NameN-pyridazin-3-ylprop-2-enamide
SMILESC=CC(=O)Nc1cccnn1
InChIInChI=1S/C7H7N3O/c1-2-7(11)9-6-4-3-5-8-10-6/h2-5H,1H2,(H,9,10,11)
InChIKeyYKJQEEJAWZJGCG-UHFFFAOYSA-N
XLogP0.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

pyridazin-3-ylurea
CID 13080987
2-methyl-N-pyridazin-3-ylpropanamide
CID 126995895
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
5-chloro-N-pyridazin-3-ylpentanamide
CID 116786504
3,4,5-trifluoro-N-pyridazin-3-ylbenzamide
CID 113238408
4-chloro-N-pyridazin-3-ylpyridine-2-carboxamide
CID 115635761
4-amino-N-pyridazin-3-ylbenzamide
CID 116785969
3-amino-N-pyridazin-3-ylbutanamide
CID 126973262
2-anilino-N-pyridazin-3-ylacetamide
CID 116786848
N-pyridazin-3-ylpyridazin-3-amine
CID 90728152
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
2-(pyridazin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 116786343

Frequently Asked Questions

What is the IUPAC name of N-pyridazin-3-ylprop-2-enamide?
The IUPAC name of N-pyridazin-3-ylprop-2-enamide (CID 116786507) is N-pyridazin-3-ylprop-2-enamide.
What is the SMILES notation for N-pyridazin-3-ylprop-2-enamide?
The canonical SMILES for N-pyridazin-3-ylprop-2-enamide is C=CC(=O)Nc1cccnn1.
What is the InChIKey of N-pyridazin-3-ylprop-2-enamide?
The InChIKey is YKJQEEJAWZJGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-2-7(11)9-6-4-3-5-8-10-6/h2-5H,1H2,(H,9,10,11).
What are the key properties of N-pyridazin-3-ylprop-2-enamide?
N-pyridazin-3-ylprop-2-enamide has a molecular weight of 149.15 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-3-ylprop-2-enamide is sourced from PubChem (CID 116786507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).