4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide

C19H21N7O3 — CID 71805265

IUPAC4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide
SMILESO=C(NCCn1nc(-n2cncn2)ccc1=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H21N7O3/c27-18-6-5-17(26-14-20-13-22-26)23-25(18)8-7-21-19(28)15-1-3-16(4-2-15)24-9-11-29-12-10-24/h1-6,13-14H,7-12H2,(H,21,28)
InChIKeyAXEQFMVPLKUKPS-UHFFFAOYSA-N
MW395.42 g/mol
LogP0.09
Rot. Bonds6

About 4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide

4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide (PubChem CID 71805265) has the molecular formula C19H21N7O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide
PubChem CID71805265
Molecular FormulaC19H21N7O3
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC Name4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide
SMILESO=C(NCCn1nc(-n2cncn2)ccc1=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H21N7O3/c27-18-6-5-17(26-14-20-13-22-26)23-25(18)8-7-21-19(28)15-1-3-16(4-2-15)24-9-11-29-12-10-24/h1-6,13-14H,7-12H2,(H,21,28)
InChIKeyAXEQFMVPLKUKPS-UHFFFAOYSA-N
XLogP0.09
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide with MolForge

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Related Compounds

N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide
CID 71805261
1-methyl-6-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]pyridazine-3-carboxamide
CID 71805238
4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide
CID 138035822
2-(2-methylphenyl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide
CID 71805227
N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71805266
4-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]chromene-2-carboxamide
CID 71805250
2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide
CID 71805232
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 51253483
N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805129
(2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide
CID 97414837
2-methyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 71805251
6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide
CID 90538846

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide?
The IUPAC name of 4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide (CID 71805265) is 4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide is O=C(NCCn1nc(-n2cncn2)ccc1=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide?
The InChIKey is AXEQFMVPLKUKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3/c27-18-6-5-17(26-14-20-13-22-26)23-25(18)8-7-21-19(28)15-1-3-16(4-2-15)24-9-11-29-12-10-24/h1-6,13-14H,7-12H2,(H,21,28).
What are the key properties of 4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide?
4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide has a molecular weight of 395.42 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 71805265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).