1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea

C18H24N6O2 — CID 122321473

IUPAC1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea
SMILESCc1ccccc1NC(=O)NCCNc1cc(N2CCOCC2)cnn1
InChIInChI=1S/C18H24N6O2/c1-14-4-2-3-5-16(14)22-18(25)20-7-6-19-17-12-15(13-21-23-17)24-8-10-26-11-9-24/h2-5,12-13H,6-11H2,1H3,(H,19,23)(H2,20,22,25)
InChIKeyNIGCBLZTIDZMAO-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.86
Rot. Bonds6

About 1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea

1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea (PubChem CID 122321473) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea
PubChem CID122321473
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea
SMILESCc1ccccc1NC(=O)NCCNc1cc(N2CCOCC2)cnn1
InChIInChI=1S/C18H24N6O2/c1-14-4-2-3-5-16(14)22-18(25)20-7-6-19-17-12-15(13-21-23-17)24-8-10-26-11-9-24/h2-5,12-13H,6-11H2,1H3,(H,19,23)(H2,20,22,25)
InChIKeyNIGCBLZTIDZMAO-UHFFFAOYSA-N
XLogP1.86
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321078
2-(2-methylphenoxy)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321557
3-fluoro-4-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122321616
1-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 122321521
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide
CID 122321432
1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354978
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]cyclobutanecarboxamide
CID 122321586
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 122321620
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide
CID 122321653
N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 91968888
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-6-oxopyran-3-carboxamide
CID 122321526
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide
CID 122321549

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea (CID 122321473) is 1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea is Cc1ccccc1NC(=O)NCCNc1cc(N2CCOCC2)cnn1.
What is the InChIKey of 1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea?
The InChIKey is NIGCBLZTIDZMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-14-4-2-3-5-16(14)22-18(25)20-7-6-19-17-12-15(13-21-23-17)24-8-10-26-11-9-24/h2-5,12-13H,6-11H2,1H3,(H,19,23)(H2,20,22,25).
What are the key properties of 1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea?
1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea has a molecular weight of 356.43 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea is sourced from PubChem (CID 122321473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).