5-(benzylamino)-6-methyl-2H-1,2,4-triazin-3-one

C11H12N4O — CID 2789522

IUPAC5-(benzylamino)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1NCc1ccccc1
InChIInChI=1S/C11H12N4O/c1-8-10(13-11(16)15-14-8)12-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,13,15,16)
InChIKeyZYTKVJJGOZXSTK-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.09
Rot. Bonds3

About 5-(benzylamino)-6-methyl-2H-1,2,4-triazin-3-one

5-(benzylamino)-6-methyl-2H-1,2,4-triazin-3-one (PubChem CID 2789522) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(benzylamino)-6-methyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-(benzylamino)-6-methyl-2H-1,2,4-triazin-3-one
PubChem CID2789522
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name5-(benzylamino)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1NCc1ccccc1
InChIInChI=1S/C11H12N4O/c1-8-10(13-11(16)15-14-8)12-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,13,15,16)
InChIKeyZYTKVJJGOZXSTK-UHFFFAOYSA-N
XLogP1.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-6-methyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-(benzylamino)-6-methyl-2H-1,2,4-triazin-3-one (CID 2789522) is 5-(benzylamino)-6-methyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-(benzylamino)-6-methyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-(benzylamino)-6-methyl-2H-1,2,4-triazin-3-one is Cc1n[nH]c(=O)nc1NCc1ccccc1.
What is the InChIKey of 5-(benzylamino)-6-methyl-2H-1,2,4-triazin-3-one?
The InChIKey is ZYTKVJJGOZXSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-10(13-11(16)15-14-8)12-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,13,15,16).
What are the key properties of 5-(benzylamino)-6-methyl-2H-1,2,4-triazin-3-one?
5-(benzylamino)-6-methyl-2H-1,2,4-triazin-3-one has a molecular weight of 216.24 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-6-methyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 2789522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).