5-[(2-aminophenyl)methyl]-3-methyl-1H-1,2,4-triazin-6-one

C11H12N4O — CID 11644201

IUPAC5-[(2-aminophenyl)methyl]-3-methyl-1H-1,2,4-triazin-6-one
SMILESCc1n[nH]c(=O)c(Cc2ccccc2N)n1
InChIInChI=1S/C11H12N4O/c1-7-13-10(11(16)15-14-7)6-8-4-2-3-5-9(8)12/h2-5H,6,12H2,1H3,(H,15,16)
InChIKeyNQUUHFSWDXRWHN-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.65
Rot. Bonds2

About 5-[(2-aminophenyl)methyl]-3-methyl-1H-1,2,4-triazin-6-one

5-[(2-aminophenyl)methyl]-3-methyl-1H-1,2,4-triazin-6-one (PubChem CID 11644201) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-[(2-aminophenyl)methyl]-3-methyl-1H-1,2,4-triazin-6-one.

Molecular Properties

Compound Name5-[(2-aminophenyl)methyl]-3-methyl-1H-1,2,4-triazin-6-one
PubChem CID11644201
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name5-[(2-aminophenyl)methyl]-3-methyl-1H-1,2,4-triazin-6-one
SMILESCc1n[nH]c(=O)c(Cc2ccccc2N)n1
InChIInChI=1S/C11H12N4O/c1-7-13-10(11(16)15-14-7)6-8-4-2-3-5-9(8)12/h2-5H,6,12H2,1H3,(H,15,16)
InChIKeyNQUUHFSWDXRWHN-UHFFFAOYSA-N
XLogP0.65
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminophenyl)methyl]-3-methyl-1H-1,2,4-triazin-6-one?
The IUPAC name of 5-[(2-aminophenyl)methyl]-3-methyl-1H-1,2,4-triazin-6-one (CID 11644201) is 5-[(2-aminophenyl)methyl]-3-methyl-1H-1,2,4-triazin-6-one.
What is the SMILES notation for 5-[(2-aminophenyl)methyl]-3-methyl-1H-1,2,4-triazin-6-one?
The canonical SMILES for 5-[(2-aminophenyl)methyl]-3-methyl-1H-1,2,4-triazin-6-one is Cc1n[nH]c(=O)c(Cc2ccccc2N)n1.
What is the InChIKey of 5-[(2-aminophenyl)methyl]-3-methyl-1H-1,2,4-triazin-6-one?
The InChIKey is NQUUHFSWDXRWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7-13-10(11(16)15-14-7)6-8-4-2-3-5-9(8)12/h2-5H,6,12H2,1H3,(H,15,16).
What are the key properties of 5-[(2-aminophenyl)methyl]-3-methyl-1H-1,2,4-triazin-6-one?
5-[(2-aminophenyl)methyl]-3-methyl-1H-1,2,4-triazin-6-one has a molecular weight of 216.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminophenyl)methyl]-3-methyl-1H-1,2,4-triazin-6-one is sourced from PubChem (CID 11644201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).