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

C17H14ClN3O3 — CID 25106719

IUPAC4-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-1,2,4-triazine-3,5-dione
SMILESCOc1ccccc1-n1ncc(=O)n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H14ClN3O3/c1-24-15-5-3-2-4-14(15)21-17(23)20(16(22)10-19-21)11-12-6-8-13(18)9-7-12/h2-10H,11H2,1H3
InChIKeyFGLPZHFXLNOVDT-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.10
Rot. Bonds4

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

4-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-1,2,4-triazine-3,5-dione (PubChem CID 25106719) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-1,2,4-triazine-3,5-dione
PubChem CID25106719
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name4-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-1,2,4-triazine-3,5-dione
SMILESCOc1ccccc1-n1ncc(=O)n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H14ClN3O3/c1-24-15-5-3-2-4-14(15)21-17(23)20(16(22)10-19-21)11-12-6-8-13(18)9-7-12/h2-10H,11H2,1H3
InChIKeyFGLPZHFXLNOVDT-UHFFFAOYSA-N
XLogP2.10
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole
CID 4575566
5-bromo-2-(2-methoxyphenyl)pyridazin-3-one
CID 134828443
2-[(4-chlorophenyl)methyl]-6-(2-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4887931
5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 122640535
3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one
CID 117209103
6-bromo-4-[(4-chlorophenyl)methyl]-2-(2-hydroxyphenyl)-1,2,4-triazine-3,5-dione
CID 68698829
4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole
CID 66438831
4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione
CID 25106995
methyl 4-[[2-(3-acetamidophenyl)-3,5-dioxo-1,2,4-triazin-4-yl]methyl]benzoate
CID 25106809
3-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 60697647
6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 57423840
(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 1075376

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-1,2,4-triazine-3,5-dione (CID 25106719) is 4-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-1,2,4-triazine-3,5-dione is COc1ccccc1-n1ncc(=O)n(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-1,2,4-triazine-3,5-dione?
The InChIKey is FGLPZHFXLNOVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-24-15-5-3-2-4-14(15)21-17(23)20(16(22)10-19-21)11-12-6-8-13(18)9-7-12/h2-10H,11H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-1,2,4-triazine-3,5-dione?
4-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-1,2,4-triazine-3,5-dione has a molecular weight of 343.77 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 25106719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).