1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea

C20H19N5O2 — CID 113049902

IUPAC1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea
SMILESO=C(Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)nn1)NC1CC1
InChIInChI=1S/C20H19N5O2/c26-20(22-15-6-7-15)23-19-13-12-18(24-25-19)21-14-8-10-17(11-9-14)27-16-4-2-1-3-5-16/h1-5,8-13,15H,6-7H2,(H,21,24)(H2,22,23,25,26)
InChIKeySXDNGFADADQTJC-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.30
Rot. Bonds6

About 1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea

1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea (PubChem CID 113049902) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea
PubChem CID113049902
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea
SMILESO=C(Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)nn1)NC1CC1
InChIInChI=1S/C20H19N5O2/c26-20(22-15-6-7-15)23-19-13-12-18(24-25-19)21-14-8-10-17(11-9-14)27-16-4-2-1-3-5-16/h1-5,8-13,15H,6-7H2,(H,21,24)(H2,22,23,25,26)
InChIKeySXDNGFADADQTJC-UHFFFAOYSA-N
XLogP4.30
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(4-chloroanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113047575
1-[6-(4-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113048047
1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea
CID 113048333
1-cyclobutyl-3-(4-phenoxyphenyl)urea
CID 23959001
1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea
CID 113049629
N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide
CID 113049889
N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049312
1-[6-(3-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113050115
1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113050196
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785
4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122086156
1-(2,3-dihydro-1H-inden-2-yl)-3-(4-phenoxyphenyl)urea
CID 23734545

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea (CID 113049902) is 1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea is O=C(Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)nn1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea?
The InChIKey is SXDNGFADADQTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-20(22-15-6-7-15)23-19-13-12-18(24-25-19)21-14-8-10-17(11-9-14)27-16-4-2-1-3-5-16/h1-5,8-13,15H,6-7H2,(H,21,24)(H2,22,23,25,26).
What are the key properties of 1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea?
1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea has a molecular weight of 361.41 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea is sourced from PubChem (CID 113049902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).