1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea

C18H23N7O2 — CID 47000444

IUPAC1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea
SMILESCCc1nc(NC(=O)NCCN2N=C(c3ccccc3)CCC2=O)nn1C
InChIInChI=1S/C18H23N7O2/c1-3-15-20-17(23-24(15)2)21-18(27)19-11-12-25-16(26)10-9-14(22-25)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H2,19,21,23,27)
InChIKeyIJRHKIXFHZYLOZ-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.53
Rot. Bonds6

About 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea

1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea (PubChem CID 47000444) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea
PubChem CID47000444
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea
SMILESCCc1nc(NC(=O)NCCN2N=C(c3ccccc3)CCC2=O)nn1C
InChIInChI=1S/C18H23N7O2/c1-3-15-20-17(23-24(15)2)21-18(27)19-11-12-25-16(26)10-9-14(22-25)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H2,19,21,23,27)
InChIKeyIJRHKIXFHZYLOZ-UHFFFAOYSA-N
XLogP1.53
TPSA104.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea?
The IUPAC name of 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea (CID 47000444) is 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea?
The canonical SMILES for 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea is CCc1nc(NC(=O)NCCN2N=C(c3ccccc3)CCC2=O)nn1C.
What is the InChIKey of 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea?
The InChIKey is IJRHKIXFHZYLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-3-15-20-17(23-24(15)2)21-18(27)19-11-12-25-16(26)10-9-14(22-25)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H2,19,21,23,27).
What are the key properties of 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea?
1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea has a molecular weight of 369.43 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea is sourced from PubChem (CID 47000444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).