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

C11H12N4O2 — CID 12761996

IUPAC6-[(2-aminophenyl)methyl]-2-methyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(Cc2ccccc2N)c(=O)[nH]c1=O
InChIInChI=1S/C11H12N4O2/c1-15-11(17)13-10(16)9(14-15)6-7-4-2-3-5-8(7)12/h2-5H,6,12H2,1H3,(H,13,16,17)
InChIKeyZWNSDFSNNWIZHF-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.36
Rot. Bonds2

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

6-[(2-aminophenyl)methyl]-2-methyl-1,2,4-triazine-3,5-dione (PubChem CID 12761996) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-[(2-aminophenyl)methyl]-2-methyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-aminophenyl)methyl]-2-methyl-1,2,4-triazine-3,5-dione
PubChem CID12761996
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name6-[(2-aminophenyl)methyl]-2-methyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(Cc2ccccc2N)c(=O)[nH]c1=O
InChIInChI=1S/C11H12N4O2/c1-15-11(17)13-10(16)9(14-15)6-7-4-2-3-5-8(7)12/h2-5H,6,12H2,1H3,(H,13,16,17)
InChIKeyZWNSDFSNNWIZHF-UHFFFAOYSA-N
XLogP-0.36
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminophenyl)methyl]-2-methyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-aminophenyl)methyl]-2-methyl-1,2,4-triazine-3,5-dione (CID 12761996) is 6-[(2-aminophenyl)methyl]-2-methyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-aminophenyl)methyl]-2-methyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-aminophenyl)methyl]-2-methyl-1,2,4-triazine-3,5-dione is Cn1nc(Cc2ccccc2N)c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2-aminophenyl)methyl]-2-methyl-1,2,4-triazine-3,5-dione?
The InChIKey is ZWNSDFSNNWIZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15-11(17)13-10(16)9(14-15)6-7-4-2-3-5-8(7)12/h2-5H,6,12H2,1H3,(H,13,16,17).
What are the key properties of 6-[(2-aminophenyl)methyl]-2-methyl-1,2,4-triazine-3,5-dione?
6-[(2-aminophenyl)methyl]-2-methyl-1,2,4-triazine-3,5-dione has a molecular weight of 232.24 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminophenyl)methyl]-2-methyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 12761996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).