1-pyridazin-4-yl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea

C16H20N4O4 — CID 126817252

IUPAC1-pyridazin-4-yl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(C(C)NC(=O)Nc2ccnnc2)cc(OC)c1OC
InChIInChI=1S/C16H20N4O4/c1-10(19-16(21)20-12-5-6-17-18-9-12)11-7-13(22-2)15(24-4)14(8-11)23-3/h5-10H,1-4H3,(H2,17,19,20,21)
InChIKeyXJFLHVRWCANUEP-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.39
Rot. Bonds6

About 1-pyridazin-4-yl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea

1-pyridazin-4-yl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea (PubChem CID 126817252) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-pyridazin-4-yl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-pyridazin-4-yl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
PubChem CID126817252
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name1-pyridazin-4-yl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(C(C)NC(=O)Nc2ccnnc2)cc(OC)c1OC
InChIInChI=1S/C16H20N4O4/c1-10(19-16(21)20-12-5-6-17-18-9-12)11-7-13(22-2)15(24-4)14(8-11)23-3/h5-10H,1-4H3,(H2,17,19,20,21)
InChIKeyXJFLHVRWCANUEP-UHFFFAOYSA-N
XLogP2.39
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 87008929
1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 55933420
1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 99841259
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide
CID 51346106
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94038782
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 47246815
1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108869400
2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55714675
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3-sulfamoylphenyl)urea
CID 47065590
3-iodo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 46467235
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide
CID 119720284
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-3-yloxamide
CID 108510113

Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-4-yl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-pyridazin-4-yl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea (CID 126817252) is 1-pyridazin-4-yl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-pyridazin-4-yl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-pyridazin-4-yl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea is COc1cc(C(C)NC(=O)Nc2ccnnc2)cc(OC)c1OC.
What is the InChIKey of 1-pyridazin-4-yl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea?
The InChIKey is XJFLHVRWCANUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-10(19-16(21)20-12-5-6-17-18-9-12)11-7-13(22-2)15(24-4)14(8-11)23-3/h5-10H,1-4H3,(H2,17,19,20,21).
What are the key properties of 1-pyridazin-4-yl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea?
1-pyridazin-4-yl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea has a molecular weight of 332.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-4-yl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 126817252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).