1-(3,4-dimethoxyphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea

C15H18N4O4 — CID 30942504

IUPAC1-(3,4-dimethoxyphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCn2ncccc2=O)cc1OC
InChIInChI=1S/C15H18N4O4/c1-22-12-6-5-11(10-13(12)23-2)18-15(21)16-8-9-19-14(20)4-3-7-17-19/h3-7,10H,8-9H2,1-2H3,(H2,16,18,21)
InChIKeyYFOXBYVBUMUPBL-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.08
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea

1-(3,4-dimethoxyphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea (PubChem CID 30942504) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea
PubChem CID30942504
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCn2ncccc2=O)cc1OC
InChIInChI=1S/C15H18N4O4/c1-22-12-6-5-11(10-13(12)23-2)18-15(21)16-8-9-19-14(20)4-3-7-17-19/h3-7,10H,8-9H2,1-2H3,(H2,16,18,21)
InChIKeyYFOXBYVBUMUPBL-UHFFFAOYSA-N
XLogP1.08
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea (CID 30942504) is 1-(3,4-dimethoxyphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea is COc1ccc(NC(=O)NCCn2ncccc2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea?
The InChIKey is YFOXBYVBUMUPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-22-12-6-5-11(10-13(12)23-2)18-15(21)16-8-9-19-14(20)4-3-7-17-19/h3-7,10H,8-9H2,1-2H3,(H2,16,18,21).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea?
1-(3,4-dimethoxyphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea has a molecular weight of 318.33 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[2-(6-oxopyridazin-1-yl)ethyl]urea is sourced from PubChem (CID 30942504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).