1-benzyl-5-methyl-1,2,4-triazin-6-one

C11H11N3O — CID 15722032

IUPAC1-benzyl-5-methyl-1,2,4-triazin-6-one
SMILESCc1ncnn(Cc2ccccc2)c1=O
InChIInChI=1S/C11H11N3O/c1-9-11(15)14(13-8-12-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyFHCNMPNHIQJINN-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.00
Rot. Bonds2

About 1-benzyl-5-methyl-1,2,4-triazin-6-one

1-benzyl-5-methyl-1,2,4-triazin-6-one (PubChem CID 15722032) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-benzyl-5-methyl-1,2,4-triazin-6-one.

Molecular Properties

Compound Name1-benzyl-5-methyl-1,2,4-triazin-6-one
PubChem CID15722032
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-benzyl-5-methyl-1,2,4-triazin-6-one
SMILESCc1ncnn(Cc2ccccc2)c1=O
InChIInChI=1S/C11H11N3O/c1-9-11(15)14(13-8-12-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyFHCNMPNHIQJINN-UHFFFAOYSA-N
XLogP1.00
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-1,2,4-triazol-3-amine;hydrochloride
CID 163993287
2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one
CID 169129055
3-benzyl-5-bromo-6-methylpyrimidin-4-one
CID 66308961
4,5-diamino-2-benzylpyridazin-3-one
CID 820673
1-benzyl-5-benzylsulfanyl-1,2,4-triazole
CID 675230
1-benzyl-5-phenylsulfanyl-1,2,4-triazole
CID 11323114
2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one
CID 53475520
2-benzyl-4-chloro-5-methoxypyridazin-3-one
CID 737015
2-benzyl-3-oxopyridazine-4-carboxylic acid
CID 97181365
6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846168
3-(2-benzyl-1,2,4-triazol-3-yl)butan-1-amine
CID 84793832
2-benzyl-4-methyl-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]pyridazin-3-one
CID 169128997

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-1,2,4-triazin-6-one?
The IUPAC name of 1-benzyl-5-methyl-1,2,4-triazin-6-one (CID 15722032) is 1-benzyl-5-methyl-1,2,4-triazin-6-one.
What is the SMILES notation for 1-benzyl-5-methyl-1,2,4-triazin-6-one?
The canonical SMILES for 1-benzyl-5-methyl-1,2,4-triazin-6-one is Cc1ncnn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-5-methyl-1,2,4-triazin-6-one?
The InChIKey is FHCNMPNHIQJINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-9-11(15)14(13-8-12-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 1-benzyl-5-methyl-1,2,4-triazin-6-one?
1-benzyl-5-methyl-1,2,4-triazin-6-one has a molecular weight of 201.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-1,2,4-triazin-6-one is sourced from PubChem (CID 15722032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).