4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione

C17H14ClN3O2 — CID 25106995

IUPAC4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione
SMILESCc1nn(-c2ccccc2)c(=O)n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H14ClN3O2/c1-12-16(22)20(11-13-7-9-14(18)10-8-13)17(23)21(19-12)15-5-3-2-4-6-15/h2-10H,11H2,1H3
InChIKeyCNHKZDDSPAZGFQ-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.40
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione

4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione (PubChem CID 25106995) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione
PubChem CID25106995
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione
SMILESCc1nn(-c2ccccc2)c(=O)n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H14ClN3O2/c1-12-16(22)20(11-13-7-9-14(18)10-8-13)17(23)21(19-12)15-5-3-2-4-6-15/h2-10H,11H2,1H3
InChIKeyCNHKZDDSPAZGFQ-UHFFFAOYSA-N
XLogP2.40
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[6-methyl-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 25107086
N-[3-[6-methyl-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide
CID 25106994
4-[(4-chlorophenyl)methyl]-6-methoxy-2-[3-(methoxymethyl)phenyl]-1,2,4-triazine-3,5-dione
CID 68700414
4-[(4-benzoylphenyl)methyl]-6-methoxy-2-phenyl-1,2,4-triazine-3,5-dione
CID 68705820
2-(4-chlorophenyl)-4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835780
6-bromo-4-[(4-chlorophenyl)methyl]-2-(2-hydroxyphenyl)-1,2,4-triazine-3,5-dione
CID 68698829
N-[(2S)-butan-2-yl]-4-[(4-methylphenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 93159051
N-[3-[4-[(4-chlorophenyl)methyl]-6-(dimethylamino)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 59139857
4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide
CID 46149662
1,3-dibenzyl-5-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidine-2,4-dione
CID 160895191
1-benzyl-3-(4-chlorophenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione
CID 46061492
4-benzyl-3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159027

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione (CID 25106995) is 4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione is Cc1nn(-c2ccccc2)c(=O)n(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione?
The InChIKey is CNHKZDDSPAZGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-12-16(22)20(11-13-7-9-14(18)10-8-13)17(23)21(19-12)15-5-3-2-4-6-15/h2-10H,11H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione?
4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione has a molecular weight of 327.77 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 25106995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).