3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,1-diethylurea

C14H24N4O2 — CID 71969020

IUPAC3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,1-diethylurea
SMILESCCc1n[nH]c(=O)c(CNC(=O)N(CC)CC)c1CC
InChIInChI=1S/C14H24N4O2/c1-5-10-11(13(19)17-16-12(10)6-2)9-15-14(20)18(7-3)8-4/h5-9H2,1-4H3,(H,15,20)(H,17,19)
InChIKeyIYASDQZBXBRFDW-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.45
Rot. Bonds6

About 3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,1-diethylurea

3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,1-diethylurea (PubChem CID 71969020) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,1-diethylurea
PubChem CID71969020
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,1-diethylurea
SMILESCCc1n[nH]c(=O)c(CNC(=O)N(CC)CC)c1CC
InChIInChI=1S/C14H24N4O2/c1-5-10-11(13(19)17-16-12(10)6-2)9-15-14(20)18(7-3)8-4/h5-9H2,1-4H3,(H,15,20)(H,17,19)
InChIKeyIYASDQZBXBRFDW-UHFFFAOYSA-N
XLogP1.45
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,1-diethylurea?
The IUPAC name of 3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,1-diethylurea (CID 71969020) is 3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,1-diethylurea.
What is the SMILES notation for 3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,1-diethylurea?
The canonical SMILES for 3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,1-diethylurea is CCc1n[nH]c(=O)c(CNC(=O)N(CC)CC)c1CC.
What is the InChIKey of 3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,1-diethylurea?
The InChIKey is IYASDQZBXBRFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-10-11(13(19)17-16-12(10)6-2)9-15-14(20)18(7-3)8-4/h5-9H2,1-4H3,(H,15,20)(H,17,19).
What are the key properties of 3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,1-diethylurea?
3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,1-diethylurea has a molecular weight of 280.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,1-diethylurea is sourced from PubChem (CID 71969020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).