3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-4-propyl-1,2,4-triazine-6-carboxamide

C21H22N4O3 — CID 93159123

IUPAC3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-4-propyl-1,2,4-triazine-6-carboxamide
SMILESCCCn1c(=O)c(C(=O)N[C@H](C)c2ccccc2)nn(-c2ccccc2)c1=O
InChIInChI=1S/C21H22N4O3/c1-3-14-24-20(27)18(19(26)22-15(2)16-10-6-4-7-11-16)23-25(21(24)28)17-12-8-5-9-13-17/h4-13,15H,3,14H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyLDYBRULKXPXTLF-OAHLLOKOSA-N
MW378.43 g/mol
LogP2.30
Rot. Bonds6

About 3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-4-propyl-1,2,4-triazine-6-carboxamide

3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-4-propyl-1,2,4-triazine-6-carboxamide (PubChem CID 93159123) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-4-propyl-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-4-propyl-1,2,4-triazine-6-carboxamide
PubChem CID93159123
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-4-propyl-1,2,4-triazine-6-carboxamide
SMILESCCCn1c(=O)c(C(=O)N[C@H](C)c2ccccc2)nn(-c2ccccc2)c1=O
InChIInChI=1S/C21H22N4O3/c1-3-14-24-20(27)18(19(26)22-15(2)16-10-6-4-7-11-16)23-25(21(24)28)17-12-8-5-9-13-17/h4-13,15H,3,14H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyLDYBRULKXPXTLF-OAHLLOKOSA-N
XLogP2.30
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzyl-3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159027
4-[(2-methylphenyl)methyl]-3,5-dioxo-2-phenyl-N-[(1S)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159072
4-[(4-fluorophenyl)methyl]-3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159035
4-[(2-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-N-[(1S)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159114
4-[(3-methylphenyl)methyl]-3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159059
4-benzyl-2-(4-fluorophenyl)-3,5-dioxo-N-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93158893
4-[(3-fluorophenyl)methyl]-3,5-dioxo-2-phenyl-N-[(1S)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159078
4-[(3-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-N-(1-phenylethyl)-1,2,4-triazine-6-carboxamide
CID 46004399
4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2-phenyl-N-(1-phenylethyl)-1,2,4-triazine-6-carboxamide
CID 46004459
4-benzyl-2-(3,5-dimethylphenyl)-3,5-dioxo-N-(1-phenylethyl)-1,2,4-triazine-6-carboxamide
CID 46006032
4-[(4-methylphenyl)methyl]-3,5-dioxo-N-[(1S)-1-phenylethyl]-2-(4-propan-2-ylphenyl)-1,2,4-triazine-6-carboxamide
CID 93159680
4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-[(1R)-1-phenylethyl]-2-(4-propan-2-ylphenyl)-1,2,4-triazine-6-carboxamide
CID 93159673

Frequently Asked Questions

What is the IUPAC name of 3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-4-propyl-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-4-propyl-1,2,4-triazine-6-carboxamide (CID 93159123) is 3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-4-propyl-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-4-propyl-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-4-propyl-1,2,4-triazine-6-carboxamide is CCCn1c(=O)c(C(=O)N[C@H](C)c2ccccc2)nn(-c2ccccc2)c1=O.
What is the InChIKey of 3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-4-propyl-1,2,4-triazine-6-carboxamide?
The InChIKey is LDYBRULKXPXTLF-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-14-24-20(27)18(19(26)22-15(2)16-10-6-4-7-11-16)23-25(21(24)28)17-12-8-5-9-13-17/h4-13,15H,3,14H2,1-2H3,(H,22,26)/t15-/m1/s1.
What are the key properties of 3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-4-propyl-1,2,4-triazine-6-carboxamide?
3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-4-propyl-1,2,4-triazine-6-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-4-propyl-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 93159123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).