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

C13H20N4O2 — CID 71849002

IUPAC1-cyclopropyl-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea
SMILESCCc1n[nH]c(=O)c(CNC(=O)NC2CC2)c1CC
InChIInChI=1S/C13H20N4O2/c1-3-9-10(12(18)17-16-11(9)4-2)7-14-13(19)15-8-5-6-8/h8H,3-7H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyXCODTUOIBFGPPP-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.86
Rot. Bonds5

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

1-cyclopropyl-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea (PubChem CID 71849002) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea
PubChem CID71849002
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-cyclopropyl-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea
SMILESCCc1n[nH]c(=O)c(CNC(=O)NC2CC2)c1CC
InChIInChI=1S/C13H20N4O2/c1-3-9-10(12(18)17-16-11(9)4-2)7-14-13(19)15-8-5-6-8/h8H,3-7H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyXCODTUOIBFGPPP-UHFFFAOYSA-N
XLogP0.86
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea (CID 71849002) is 1-cyclopropyl-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea is CCc1n[nH]c(=O)c(CNC(=O)NC2CC2)c1CC.
What is the InChIKey of 1-cyclopropyl-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea?
The InChIKey is XCODTUOIBFGPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-9-10(12(18)17-16-11(9)4-2)7-14-13(19)15-8-5-6-8/h8H,3-7H2,1-2H3,(H,17,18)(H2,14,15,19).
What are the key properties of 1-cyclopropyl-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea?
1-cyclopropyl-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea has a molecular weight of 264.33 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea is sourced from PubChem (CID 71849002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).