1-benzyl-N-ethyl-6-oxopyridazine-3-carboxamide

C14H15N3O2 — CID 47099979

IUPAC1-benzyl-N-ethyl-6-oxopyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C14H15N3O2/c1-2-15-14(19)12-8-9-13(18)17(16-12)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,15,19)
InChIKeyPTGJGMCDAYMYKB-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.04
Rot. Bonds4

About 1-benzyl-N-ethyl-6-oxopyridazine-3-carboxamide

1-benzyl-N-ethyl-6-oxopyridazine-3-carboxamide (PubChem CID 47099979) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-benzyl-N-ethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-ethyl-6-oxopyridazine-3-carboxamide
PubChem CID47099979
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-benzyl-N-ethyl-6-oxopyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C14H15N3O2/c1-2-15-14(19)12-8-9-13(18)17(16-12)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,15,19)
InChIKeyPTGJGMCDAYMYKB-UHFFFAOYSA-N
XLogP1.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-ethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-ethyl-6-oxopyridazine-3-carboxamide (CID 47099979) is 1-benzyl-N-ethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-ethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-ethyl-6-oxopyridazine-3-carboxamide is CCNC(=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-ethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is PTGJGMCDAYMYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-15-14(19)12-8-9-13(18)17(16-12)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,15,19).
What are the key properties of 1-benzyl-N-ethyl-6-oxopyridazine-3-carboxamide?
1-benzyl-N-ethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-ethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 47099979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).