2-(2-hydroxyethoxymethyl)-6-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione

C14H17N3O4 — CID 5275346

IUPAC2-(2-hydroxyethoxymethyl)-6-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione
SMILESCc1ccc(Cc2nn(COCCO)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H17N3O4/c1-10-2-4-11(5-3-10)8-12-13(19)15-14(20)17(16-12)9-21-7-6-18/h2-5,18H,6-9H2,1H3,(H,15,19,20)
InChIKeyUVCFSUROTZSDDI-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.20
Rot. Bonds6

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

2-(2-hydroxyethoxymethyl)-6-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione (PubChem CID 5275346) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(2-hydroxyethoxymethyl)-6-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(2-hydroxyethoxymethyl)-6-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione
PubChem CID5275346
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-(2-hydroxyethoxymethyl)-6-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione
SMILESCc1ccc(Cc2nn(COCCO)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H17N3O4/c1-10-2-4-11(5-3-10)8-12-13(19)15-14(20)17(16-12)9-21-7-6-18/h2-5,18H,6-9H2,1H3,(H,15,19,20)
InChIKeyUVCFSUROTZSDDI-UHFFFAOYSA-N
XLogP-0.20
TPSA97.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxymethyl)-6-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(2-hydroxyethoxymethyl)-6-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione (CID 5275346) is 2-(2-hydroxyethoxymethyl)-6-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(2-hydroxyethoxymethyl)-6-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(2-hydroxyethoxymethyl)-6-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione is Cc1ccc(Cc2nn(COCCO)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 2-(2-hydroxyethoxymethyl)-6-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione?
The InChIKey is UVCFSUROTZSDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-10-2-4-11(5-3-10)8-12-13(19)15-14(20)17(16-12)9-21-7-6-18/h2-5,18H,6-9H2,1H3,(H,15,19,20).
What are the key properties of 2-(2-hydroxyethoxymethyl)-6-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione?
2-(2-hydroxyethoxymethyl)-6-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione has a molecular weight of 291.31 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxymethyl)-6-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 5275346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).