4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide

C14H16N4O2 — CID 103218894

IUPAC4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
SMILESCCNc1cnn(Cc2ccc(C(N)=O)cc2)c(=O)c1
InChIInChI=1S/C14H16N4O2/c1-2-16-12-7-13(19)18(17-8-12)9-10-3-5-11(6-4-10)14(15)20/h3-8,16H,2,9H2,1H3,(H2,15,20)
InChIKeyGLZPRKZJUYRYNN-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.82
Rot. Bonds5

About 4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide

4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide (PubChem CID 103218894) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
PubChem CID103218894
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
SMILESCCNc1cnn(Cc2ccc(C(N)=O)cc2)c(=O)c1
InChIInChI=1S/C14H16N4O2/c1-2-16-12-7-13(19)18(17-8-12)9-10-3-5-11(6-4-10)14(15)20/h3-8,16H,2,9H2,1H3,(H2,15,20)
InChIKeyGLZPRKZJUYRYNN-UHFFFAOYSA-N
XLogP0.82
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide (CID 103218894) is 4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide is CCNc1cnn(Cc2ccc(C(N)=O)cc2)c(=O)c1.
What is the InChIKey of 4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide?
The InChIKey is GLZPRKZJUYRYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-16-12-7-13(19)18(17-8-12)9-10-3-5-11(6-4-10)14(15)20/h3-8,16H,2,9H2,1H3,(H2,15,20).
What are the key properties of 4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide?
4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide has a molecular weight of 272.31 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide is sourced from PubChem (CID 103218894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).