2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide

C16H19N3O2 — CID 59531638

IUPAC2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccnn(Cc2ccccc2)c1=O
InChIInChI=1S/C16H19N3O2/c1-16(2,3)18-14(20)13-9-10-17-19(15(13)21)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,18,20)
InChIKeyMTBVVZXCELGSDW-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.82
Rot. Bonds3

About 2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide

2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide (PubChem CID 59531638) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide
PubChem CID59531638
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccnn(Cc2ccccc2)c1=O
InChIInChI=1S/C16H19N3O2/c1-16(2,3)18-14(20)13-9-10-17-19(15(13)21)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,18,20)
InChIKeyMTBVVZXCELGSDW-UHFFFAOYSA-N
XLogP1.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide?
The IUPAC name of 2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide (CID 59531638) is 2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide?
The canonical SMILES for 2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide is CC(C)(C)NC(=O)c1ccnn(Cc2ccccc2)c1=O.
What is the InChIKey of 2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide?
The InChIKey is MTBVVZXCELGSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2,3)18-14(20)13-9-10-17-19(15(13)21)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,18,20).
What are the key properties of 2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide?
2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 59531638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).