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

C18H14N6O4 — CID 71805250

IUPAC4-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]chromene-2-carboxamide
SMILESO=C(NCCn1nc(-n2cncn2)ccc1=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C18H14N6O4/c25-13-9-15(28-14-4-2-1-3-12(13)14)18(27)20-7-8-23-17(26)6-5-16(22-23)24-11-19-10-21-24/h1-6,9-11H,7-8H2,(H,20,27)
InChIKeyMINXBLNETNQQBX-UHFFFAOYSA-N
MW378.35 g/mol
LogP0.36
Rot. Bonds5

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

4-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]chromene-2-carboxamide (PubChem CID 71805250) has the molecular formula C18H14N6O4 and a molecular weight of 378.35 g/mol. Its IUPAC name is 4-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]chromene-2-carboxamide
PubChem CID71805250
Molecular FormulaC18H14N6O4
Molecular Weight378.35 g/mol
Exact Mass378.11
IUPAC Name4-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]chromene-2-carboxamide
SMILESO=C(NCCn1nc(-n2cncn2)ccc1=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C18H14N6O4/c25-13-9-15(28-14-4-2-1-3-12(13)14)18(27)20-7-8-23-17(26)6-5-16(22-23)24-11-19-10-21-24/h1-6,9-11H,7-8H2,(H,20,27)
InChIKeyMINXBLNETNQQBX-UHFFFAOYSA-N
XLogP0.36
TPSA124.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

4-oxo-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide
CID 47036236
4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide
CID 47036755
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
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
N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide
CID 90541527
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
(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
4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide
CID 71805265
N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-4-oxochromene-2-carboxamide
CID 122244769

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]chromene-2-carboxamide (CID 71805250) is 4-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]chromene-2-carboxamide is O=C(NCCn1nc(-n2cncn2)ccc1=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]chromene-2-carboxamide?
The InChIKey is MINXBLNETNQQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O4/c25-13-9-15(28-14-4-2-1-3-12(13)14)18(27)20-7-8-23-17(26)6-5-16(22-23)24-11-19-10-21-24/h1-6,9-11H,7-8H2,(H,20,27).
What are the key properties of 4-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]chromene-2-carboxamide?
4-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]chromene-2-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]chromene-2-carboxamide is sourced from PubChem (CID 71805250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).