(E)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-3-enamide

C10H13N3O2 — CID 155801722

IUPAC(E)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-3-enamide
SMILESCN(C)C(=O)C/C=C/c1ccc(=O)[nH]n1
InChIInChI=1S/C10H13N3O2/c1-13(2)10(15)5-3-4-8-6-7-9(14)12-11-8/h3-4,6-7H,5H2,1-2H3,(H,12,14)/b4-3+
InChIKeyHZUOUTIBJWWXKF-ONEGZZNKSA-N
MW207.23 g/mol
LogP0.26
Rot. Bonds3

About (E)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-3-enamide

(E)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-3-enamide (PubChem CID 155801722) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (E)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-3-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-3-enamide
PubChem CID155801722
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(E)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-3-enamide
SMILESCN(C)C(=O)C/C=C/c1ccc(=O)[nH]n1
InChIInChI=1S/C10H13N3O2/c1-13(2)10(15)5-3-4-8-6-7-9(14)12-11-8/h3-4,6-7H,5H2,1-2H3,(H,12,14)/b4-3+
InChIKeyHZUOUTIBJWWXKF-ONEGZZNKSA-N
XLogP0.26
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-3-enamide?
The IUPAC name of (E)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-3-enamide (CID 155801722) is (E)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-3-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-3-enamide?
The canonical SMILES for (E)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-3-enamide is CN(C)C(=O)C/C=C/c1ccc(=O)[nH]n1.
What is the InChIKey of (E)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-3-enamide?
The InChIKey is HZUOUTIBJWWXKF-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-13(2)10(15)5-3-4-8-6-7-9(14)12-11-8/h3-4,6-7H,5H2,1-2H3,(H,12,14)/b4-3+.
What are the key properties of (E)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-3-enamide?
(E)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-3-enamide has a molecular weight of 207.23 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-3-enamide is sourced from PubChem (CID 155801722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).