3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide

C18H18N6O5 — CID 93065431

IUPAC3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCn1c(=O)c(-c2noc(C(=O)NC[C@H]3CCCO3)n2)nn(-c2ccccc2)c1=O
InChIInChI=1S/C18H18N6O5/c1-23-17(26)13(21-24(18(23)27)11-6-3-2-4-7-11)14-20-16(29-22-14)15(25)19-10-12-8-5-9-28-12/h2-4,6-7,12H,5,8-10H2,1H3,(H,19,25)/t12-/m1/s1
InChIKeyVUWPHPDESYVBLR-GFCCVEGCSA-N
MW398.38 g/mol
LogP-0.11
Rot. Bonds5

About 3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide

3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 93065431) has the molecular formula C18H18N6O5 and a molecular weight of 398.38 g/mol. Its IUPAC name is 3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID93065431
Molecular FormulaC18H18N6O5
Molecular Weight398.38 g/mol
Exact Mass398.13
IUPAC Name3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCn1c(=O)c(-c2noc(C(=O)NC[C@H]3CCCO3)n2)nn(-c2ccccc2)c1=O
InChIInChI=1S/C18H18N6O5/c1-23-17(26)13(21-24(18(23)27)11-6-3-2-4-7-11)14-20-16(29-22-14)15(25)19-10-12-8-5-9-28-12/h2-4,6-7,12H,5,8-10H2,1H3,(H,19,25)/t12-/m1/s1
InChIKeyVUWPHPDESYVBLR-GFCCVEGCSA-N
XLogP-0.11
TPSA134.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 94074573
3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 94074574
3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazin-6-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 50776564
4-[(2-methylphenyl)methyl]-3,5-dioxo-N-(oxolan-2-ylmethyl)-2-phenyl-1,2,4-triazine-6-carboxamide
CID 46004429
4-[(2-methylphenyl)methyl]-3,5-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-1,2,4-triazine-6-carboxamide
CID 93159074
3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 50776469
6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide
CID 31883567
4-ethyl-2-(4-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 42836032
4-benzyl-2-(3-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46005410
N-[2-(4-chlorophenyl)ethyl]-3-(4-ethyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 50776425
3-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472669
1-(4-methoxyphenyl)-3,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 83285028

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 93065431) is 3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide is Cn1c(=O)c(-c2noc(C(=O)NC[C@H]3CCCO3)n2)nn(-c2ccccc2)c1=O.
What is the InChIKey of 3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is VUWPHPDESYVBLR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N6O5/c1-23-17(26)13(21-24(18(23)27)11-6-3-2-4-7-11)14-20-16(29-22-14)15(25)19-10-12-8-5-9-28-12/h2-4,6-7,12H,5,8-10H2,1H3,(H,19,25)/t12-/m1/s1.
What are the key properties of 3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 398.38 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 93065431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).