2-[(3-benzyl-6-oxo-1H-pyridazin-4-yl)oxy]ethyl-ethylcarbamic acid

C16H19N3O4 — CID 67079314

IUPAC2-[(3-benzyl-6-oxo-1H-pyridazin-4-yl)oxy]ethyl-ethylcarbamic acid
SMILESCCN(CCOc1cc(=O)[nH]nc1Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H19N3O4/c1-2-19(16(21)22)8-9-23-14-11-15(20)18-17-13(14)10-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,18,20)(H,21,22)
InChIKeyGVPGMDUHDKEHCG-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.74
Rot. Bonds7

About 2-[(3-benzyl-6-oxo-1H-pyridazin-4-yl)oxy]ethyl-ethylcarbamic acid

2-[(3-benzyl-6-oxo-1H-pyridazin-4-yl)oxy]ethyl-ethylcarbamic acid (PubChem CID 67079314) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[(3-benzyl-6-oxo-1H-pyridazin-4-yl)oxy]ethyl-ethylcarbamic acid.

Molecular Properties

Compound Name2-[(3-benzyl-6-oxo-1H-pyridazin-4-yl)oxy]ethyl-ethylcarbamic acid
PubChem CID67079314
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-[(3-benzyl-6-oxo-1H-pyridazin-4-yl)oxy]ethyl-ethylcarbamic acid
SMILESCCN(CCOc1cc(=O)[nH]nc1Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H19N3O4/c1-2-19(16(21)22)8-9-23-14-11-15(20)18-17-13(14)10-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,18,20)(H,21,22)
InChIKeyGVPGMDUHDKEHCG-UHFFFAOYSA-N
XLogP1.74
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzyl-6-oxo-1H-pyridazin-4-yl)oxy]ethyl-ethylcarbamic acid?
The IUPAC name of 2-[(3-benzyl-6-oxo-1H-pyridazin-4-yl)oxy]ethyl-ethylcarbamic acid (CID 67079314) is 2-[(3-benzyl-6-oxo-1H-pyridazin-4-yl)oxy]ethyl-ethylcarbamic acid.
What is the SMILES notation for 2-[(3-benzyl-6-oxo-1H-pyridazin-4-yl)oxy]ethyl-ethylcarbamic acid?
The canonical SMILES for 2-[(3-benzyl-6-oxo-1H-pyridazin-4-yl)oxy]ethyl-ethylcarbamic acid is CCN(CCOc1cc(=O)[nH]nc1Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(3-benzyl-6-oxo-1H-pyridazin-4-yl)oxy]ethyl-ethylcarbamic acid?
The InChIKey is GVPGMDUHDKEHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-2-19(16(21)22)8-9-23-14-11-15(20)18-17-13(14)10-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 2-[(3-benzyl-6-oxo-1H-pyridazin-4-yl)oxy]ethyl-ethylcarbamic acid?
2-[(3-benzyl-6-oxo-1H-pyridazin-4-yl)oxy]ethyl-ethylcarbamic acid has a molecular weight of 317.35 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzyl-6-oxo-1H-pyridazin-4-yl)oxy]ethyl-ethylcarbamic acid is sourced from PubChem (CID 67079314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).