1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-prop-2-enylurea

C13H20N4O2 — CID 71846787

IUPAC1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NCc1c(CC)c(CC)n[nH]c1=O
InChIInChI=1S/C13H20N4O2/c1-4-7-14-13(19)15-8-10-9(5-2)11(6-3)16-17-12(10)18/h4H,1,5-8H2,2-3H3,(H,17,18)(H2,14,15,19)
InChIKeyUTFPIGVJKZXDFN-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.88
Rot. Bonds6

About 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-prop-2-enylurea

1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-prop-2-enylurea (PubChem CID 71846787) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-prop-2-enylurea
PubChem CID71846787
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NCc1c(CC)c(CC)n[nH]c1=O
InChIInChI=1S/C13H20N4O2/c1-4-7-14-13(19)15-8-10-9(5-2)11(6-3)16-17-12(10)18/h4H,1,5-8H2,2-3H3,(H,17,18)(H2,14,15,19)
InChIKeyUTFPIGVJKZXDFN-UHFFFAOYSA-N
XLogP0.88
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-prop-2-enylurea?
The IUPAC name of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-prop-2-enylurea (CID 71846787) is 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-prop-2-enylurea?
The canonical SMILES for 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-prop-2-enylurea is C=CCNC(=O)NCc1c(CC)c(CC)n[nH]c1=O.
What is the InChIKey of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-prop-2-enylurea?
The InChIKey is UTFPIGVJKZXDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-7-14-13(19)15-8-10-9(5-2)11(6-3)16-17-12(10)18/h4H,1,5-8H2,2-3H3,(H,17,18)(H2,14,15,19).
What are the key properties of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-prop-2-enylurea?
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-prop-2-enylurea has a molecular weight of 264.33 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-prop-2-enylurea is sourced from PubChem (CID 71846787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).