[6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone

C15H15BrN4O2 — CID 109114727

IUPAC[6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2ccc(Br)cc2)nn1)N1CCOCC1
InChIInChI=1S/C15H15BrN4O2/c16-11-1-3-12(4-2-11)17-14-6-5-13(18-19-14)15(21)20-7-9-22-10-8-20/h1-6H,7-10H2,(H,17,19)
InChIKeyCVEFHCJEXQFYEW-UHFFFAOYSA-N
MW363.22 g/mol
LogP2.46
Rot. Bonds3

About [6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone

[6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone (PubChem CID 109114727) has the molecular formula C15H15BrN4O2 and a molecular weight of 363.22 g/mol. Its IUPAC name is [6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
PubChem CID109114727
Molecular FormulaC15H15BrN4O2
Molecular Weight363.22 g/mol
Exact Mass362.04
IUPAC Name[6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2ccc(Br)cc2)nn1)N1CCOCC1
InChIInChI=1S/C15H15BrN4O2/c16-11-1-3-12(4-2-11)17-14-6-5-13(18-19-14)15(21)20-7-9-22-10-8-20/h1-6H,7-10H2,(H,17,19)
InChIKeyCVEFHCJEXQFYEW-UHFFFAOYSA-N
XLogP2.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114795
[5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184671
[6-(methylamino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 62172695
1-[3-[[6-(morpholine-4-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109114743
[6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112707
morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone
CID 109114740
morpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone
CID 109114707
[6-(4-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123612
[6-(cyclohexylamino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109112814
azepan-1-yl-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]methanone
CID 109126497
[6-(4-tert-butylanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123607
methyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate
CID 56796791

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone (CID 109114727) is [6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone is O=C(c1ccc(Nc2ccc(Br)cc2)nn1)N1CCOCC1.
What is the InChIKey of [6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is CVEFHCJEXQFYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O2/c16-11-1-3-12(4-2-11)17-14-6-5-13(18-19-14)15(21)20-7-9-22-10-8-20/h1-6H,7-10H2,(H,17,19).
What are the key properties of [6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone?
[6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 363.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109114727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).