6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide

C20H19N7O3 — CID 129301249

IUPAC6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide
SMILESO=C(NC1N=C(c2ccccn2)NN1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C20H19N7O3/c28-17-10-9-16(26-27(17)12-13-30-14-6-2-1-3-7-14)19(29)23-20-22-18(24-25-20)15-8-4-5-11-21-15/h1-11,20,25H,12-13H2,(H,22,24)(H,23,29)
InChIKeyFBMGFTVKZIXYLU-UHFFFAOYSA-N
MW405.42 g/mol
LogP0.29
Rot. Bonds7

About 6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide

6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide (PubChem CID 129301249) has the molecular formula C20H19N7O3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide
PubChem CID129301249
Molecular FormulaC20H19N7O3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC Name6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide
SMILESO=C(NC1N=C(c2ccccn2)NN1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C20H19N7O3/c28-17-10-9-16(26-27(17)12-13-30-14-6-2-1-3-7-14)19(29)23-20-22-18(24-25-20)15-8-4-5-11-21-15/h1-11,20,25H,12-13H2,(H,22,24)(H,23,29)
InChIKeyFBMGFTVKZIXYLU-UHFFFAOYSA-N
XLogP0.29
TPSA122.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide (CID 129301249) is 6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide is O=C(NC1N=C(c2ccccn2)NN1)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of 6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide?
The InChIKey is FBMGFTVKZIXYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3/c28-17-10-9-16(26-27(17)12-13-30-14-6-2-1-3-7-14)19(29)23-20-22-18(24-25-20)15-8-4-5-11-21-15/h1-11,20,25H,12-13H2,(H,22,24)(H,23,29).
What are the key properties of 6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide?
6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide has a molecular weight of 405.42 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 129301249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).