1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea

C17H19ClFN5O — CID 113047848

IUPAC1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea
SMILESO=C(Nc1ccc(Nc2ccc(F)c(Cl)c2)nn1)NC1CCCCC1
InChIInChI=1S/C17H19ClFN5O/c18-13-10-12(6-7-14(13)19)20-15-8-9-16(24-23-15)22-17(25)21-11-4-2-1-3-5-11/h6-11H,1-5H2,(H,20,23)(H2,21,22,24,25)
InChIKeyQVGBFZROVHPYPP-UHFFFAOYSA-N
MW363.82 g/mol
LogP4.47
Rot. Bonds4

About 1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea

1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea (PubChem CID 113047848) has the molecular formula C17H19ClFN5O and a molecular weight of 363.82 g/mol. Its IUPAC name is 1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea
PubChem CID113047848
Molecular FormulaC17H19ClFN5O
Molecular Weight363.82 g/mol
Exact Mass363.13
IUPAC Name1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea
SMILESO=C(Nc1ccc(Nc2ccc(F)c(Cl)c2)nn1)NC1CCCCC1
InChIInChI=1S/C17H19ClFN5O/c18-13-10-12(6-7-14(13)19)20-15-8-9-16(24-23-15)22-17(25)21-11-4-2-1-3-5-11/h6-11H,1-5H2,(H,20,23)(H2,21,22,24,25)
InChIKeyQVGBFZROVHPYPP-UHFFFAOYSA-N
XLogP4.47
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113080
1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047482
1-[6-(4-chloroanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113047575
N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049312
1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea
CID 113051505
1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea
CID 113048333
1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea
CID 113050834
1-(3-chloro-4-fluorophenyl)-3-cycloheptylthiourea
CID 8669396
1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea
CID 112990296
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea
CID 113049683
1-(3-chloro-4-fluorophenyl)-3-cyclopentylthiourea
CID 2105676

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea?
The IUPAC name of 1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea (CID 113047848) is 1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea.
What is the SMILES notation for 1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea?
The canonical SMILES for 1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea is O=C(Nc1ccc(Nc2ccc(F)c(Cl)c2)nn1)NC1CCCCC1.
What is the InChIKey of 1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea?
The InChIKey is QVGBFZROVHPYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O/c18-13-10-12(6-7-14(13)19)20-15-8-9-16(24-23-15)22-17(25)21-11-4-2-1-3-5-11/h6-11H,1-5H2,(H,20,23)(H2,21,22,24,25).
What are the key properties of 1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea?
1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea has a molecular weight of 363.82 g/mol, XLogP of 4.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea is sourced from PubChem (CID 113047848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).