1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea

C17H18F3N5O — CID 113051505

IUPAC1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea
SMILESO=C(Nc1ccc(Nc2ccc(F)c(F)c2F)nn1)NC1CCCCC1
InChIInChI=1S/C17H18F3N5O/c18-11-6-7-12(16(20)15(11)19)22-13-8-9-14(25-24-13)23-17(26)21-10-4-2-1-3-5-10/h6-10H,1-5H2,(H,22,24)(H2,21,23,25,26)
InChIKeyRIYZHHHPNMNFTE-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.09
Rot. Bonds4

About 1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea

1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea (PubChem CID 113051505) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea
PubChem CID113051505
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC Name1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea
SMILESO=C(Nc1ccc(Nc2ccc(F)c(F)c2F)nn1)NC1CCCCC1
InChIInChI=1S/C17H18F3N5O/c18-11-6-7-12(16(20)15(11)19)22-13-8-9-14(25-24-13)23-17(26)21-10-4-2-1-3-5-10/h6-10H,1-5H2,(H,22,24)(H2,21,23,25,26)
InChIKeyRIYZHHHPNMNFTE-UHFFFAOYSA-N
XLogP4.09
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047848
1-cyclopropyl-3-[6-(2,4-difluoroanilino)pyridazin-3-yl]urea
CID 113050539
N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049312
1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea
CID 113050834
1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047482
1-[6-(4-chloroanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113047575
1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea
CID 113048333
1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea
CID 113045369
4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
CID 113051478
1-cyclopentyl-3-(2,3,4-trifluorophenyl)thiourea
CID 116507277
N-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109195345
1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea
CID 113049830

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea (CID 113051505) is 1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea is O=C(Nc1ccc(Nc2ccc(F)c(F)c2F)nn1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea?
The InChIKey is RIYZHHHPNMNFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c18-11-6-7-12(16(20)15(11)19)22-13-8-9-14(25-24-13)23-17(26)21-10-4-2-1-3-5-10/h6-10H,1-5H2,(H,22,24)(H2,21,23,25,26).
What are the key properties of 1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea?
1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea has a molecular weight of 365.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea is sourced from PubChem (CID 113051505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).