4-amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one

C11H9F3N4O — CID 13078493

IUPAC4-amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one
SMILESCc1nnc(-c2cccc(C(F)(F)F)c2)c(=O)n1N
InChIInChI=1S/C11H9F3N4O/c1-6-16-17-9(10(19)18(6)15)7-3-2-4-8(5-7)11(12,13)14/h2-5H,15H2,1H3
InChIKeyUGJMBHPQECJOIB-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.35
Rot. Bonds1

About 4-amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one

4-amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one (PubChem CID 13078493) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 4-amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one
PubChem CID13078493
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name4-amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one
SMILESCc1nnc(-c2cccc(C(F)(F)F)c2)c(=O)n1N
InChIInChI=1S/C11H9F3N4O/c1-6-16-17-9(10(19)18(6)15)7-3-2-4-8(5-7)11(12,13)14/h2-5H,15H2,1H3
InChIKeyUGJMBHPQECJOIB-UHFFFAOYSA-N
XLogP1.35
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 154721218
CID 154721218
CID 13458086
CID 13458086
CID 13458087
CID 13458087
CID 21387750
CID 21387750
CID 117619169
CID 117619169
CID 135521879
CID 135521879
CID 138396176
CID 138396176
CID 12323793
CID 12323793
CID 12323798
CID 12323798

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one (CID 13078493) is 4-amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one is Cc1nnc(-c2cccc(C(F)(F)F)c2)c(=O)n1N.
What is the InChIKey of 4-amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one?
The InChIKey is UGJMBHPQECJOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c1-6-16-17-9(10(19)18(6)15)7-3-2-4-8(5-7)11(12,13)14/h2-5H,15H2,1H3.
What are the key properties of 4-amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one?
4-amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one has a molecular weight of 270.21 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one is sourced from PubChem (CID 13078493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).