1-(2,4-difluorophenyl)-3-[2-[(6-methylpyridazin-3-yl)amino]ethyl]urea

C14H15F2N5O — CID 56700309

IUPAC1-(2,4-difluorophenyl)-3-[2-[(6-methylpyridazin-3-yl)amino]ethyl]urea
SMILESCc1ccc(NCCNC(=O)Nc2ccc(F)cc2F)nn1
InChIInChI=1S/C14H15F2N5O/c1-9-2-5-13(21-20-9)17-6-7-18-14(22)19-12-4-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3,(H,17,21)(H2,18,19,22)
InChIKeyKUFRRTHYROYLFI-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.30
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[2-[(6-methylpyridazin-3-yl)amino]ethyl]urea

1-(2,4-difluorophenyl)-3-[2-[(6-methylpyridazin-3-yl)amino]ethyl]urea (PubChem CID 56700309) has the molecular formula C14H15F2N5O and a molecular weight of 307.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-[(6-methylpyridazin-3-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-[(6-methylpyridazin-3-yl)amino]ethyl]urea
PubChem CID56700309
Molecular FormulaC14H15F2N5O
Molecular Weight307.30 g/mol
Exact Mass307.12
IUPAC Name1-(2,4-difluorophenyl)-3-[2-[(6-methylpyridazin-3-yl)amino]ethyl]urea
SMILESCc1ccc(NCCNC(=O)Nc2ccc(F)cc2F)nn1
InChIInChI=1S/C14H15F2N5O/c1-9-2-5-13(21-20-9)17-6-7-18-14(22)19-12-4-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3,(H,17,21)(H2,18,19,22)
InChIKeyKUFRRTHYROYLFI-UHFFFAOYSA-N
XLogP2.30
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-difluorophenyl)-3-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122307361
N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide
CID 17424278
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(2-cyanoethyl)-3-(2,4-difluorophenyl)urea
CID 60676650
1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea
CID 107302722
1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea
CID 103918695
1-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-3-(3-nitrophenyl)urea
CID 71931094
1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea
CID 61343254
1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969888
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea
CID 66168207
1-(3-cyanopropyl)-3-(2,4-difluorophenyl)urea
CID 62667576

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-[(6-methylpyridazin-3-yl)amino]ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-[(6-methylpyridazin-3-yl)amino]ethyl]urea (CID 56700309) is 1-(2,4-difluorophenyl)-3-[2-[(6-methylpyridazin-3-yl)amino]ethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-[(6-methylpyridazin-3-yl)amino]ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-[(6-methylpyridazin-3-yl)amino]ethyl]urea is Cc1ccc(NCCNC(=O)Nc2ccc(F)cc2F)nn1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-[(6-methylpyridazin-3-yl)amino]ethyl]urea?
The InChIKey is KUFRRTHYROYLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5O/c1-9-2-5-13(21-20-9)17-6-7-18-14(22)19-12-4-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3,(H,17,21)(H2,18,19,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-[(6-methylpyridazin-3-yl)amino]ethyl]urea?
1-(2,4-difluorophenyl)-3-[2-[(6-methylpyridazin-3-yl)amino]ethyl]urea has a molecular weight of 307.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-[(6-methylpyridazin-3-yl)amino]ethyl]urea is sourced from PubChem (CID 56700309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).