5-(fluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C6H7FN6 — CID 20593961

IUPAC5-(fluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCc1nc2nc(CF)nc(N)n2n1
InChIInChI=1S/C6H7FN6/c1-3-9-6-11-4(2-7)10-5(8)13(6)12-3/h2H2,1H3,(H2,8,9,10,11,12)
InChIKeyVSWSRJBWAKXOCH-UHFFFAOYSA-N
MW182.16 g/mol
LogP-0.12
Rot. Bonds1

About 5-(fluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

5-(fluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 20593961) has the molecular formula C6H7FN6 and a molecular weight of 182.16 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name5-(fluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID20593961
Molecular FormulaC6H7FN6
Molecular Weight182.16 g/mol
Exact Mass182.07
IUPAC Name5-(fluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCc1nc2nc(CF)nc(N)n2n1
InChIInChI=1S/C6H7FN6/c1-3-9-6-11-4(2-7)10-5(8)13(6)12-3/h2H2,1H3,(H2,8,9,10,11,12)
InChIKeyVSWSRJBWAKXOCH-UHFFFAOYSA-N
XLogP-0.12
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 70951796
2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 12603825
5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 123636037
4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 130738995
2-hydrazinyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 170854691
2-(aminomethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 13019084
6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17190673
2-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
CID 126561535
2-(2,6-difluorophenyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499310
2-(fluoromethyl)-4-methylpyrimidin-5-amine
CID 105428194
(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103318377
2-ethyl-7,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 159789024

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 5-(fluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 20593961) is 5-(fluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 5-(fluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 5-(fluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Cc1nc2nc(CF)nc(N)n2n1.
What is the InChIKey of 5-(fluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is VSWSRJBWAKXOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN6/c1-3-9-6-11-4(2-7)10-5(8)13(6)12-3/h2H2,1H3,(H2,8,9,10,11,12).
What are the key properties of 5-(fluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
5-(fluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 182.16 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 20593961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).