1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea

C18H23N5O2 — CID 113048333

IUPAC1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea
SMILESCOc1ccc(Nc2ccc(NC(=O)NC3CCCCC3)nn2)cc1
InChIInChI=1S/C18H23N5O2/c1-25-15-9-7-14(8-10-15)19-16-11-12-17(23-22-16)21-18(24)20-13-5-3-2-4-6-13/h7-13H,2-6H2,1H3,(H,19,22)(H2,20,21,23,24)
InChIKeyJAXQFEGMOPWWTP-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.68
Rot. Bonds5

About 1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea

1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea (PubChem CID 113048333) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea
PubChem CID113048333
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea
SMILESCOc1ccc(Nc2ccc(NC(=O)NC3CCCCC3)nn2)cc1
InChIInChI=1S/C18H23N5O2/c1-25-15-9-7-14(8-10-15)19-16-11-12-17(23-22-16)21-18(24)20-13-5-3-2-4-6-13/h7-13H,2-6H2,1H3,(H,19,22)(H2,20,21,23,24)
InChIKeyJAXQFEGMOPWWTP-UHFFFAOYSA-N
XLogP3.68
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049312
1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea
CID 113034207
1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea
CID 113049683
1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea
CID 113049902
1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113048339
1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea
CID 113034718
1-[6-(4-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113048047
1-[6-(4-chloroanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113047575
1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea
CID 113049629
1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047848
1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047482
1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea
CID 113042810

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea (CID 113048333) is 1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea is COc1ccc(Nc2ccc(NC(=O)NC3CCCCC3)nn2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea?
The InChIKey is JAXQFEGMOPWWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-25-15-9-7-14(8-10-15)19-16-11-12-17(23-22-16)21-18(24)20-13-5-3-2-4-6-13/h7-13H,2-6H2,1H3,(H,19,22)(H2,20,21,23,24).
What are the key properties of 1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea?
1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea has a molecular weight of 341.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea is sourced from PubChem (CID 113048333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).