6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine

C6H6F3N5 — CID 166828351

IUPAC6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine
SMILESCc1[nH]n2c(C(F)(F)F)nnc2c1N
InChIInChI=1S/C6H6F3N5/c1-2-3(10)4-11-12-5(6(7,8)9)14(4)13-2/h13H,10H2,1H3
InChIKeyJVRFXRNTCDDZRP-UHFFFAOYSA-N
MW205.14 g/mol
LogP0.97
Rot. Bonds

About 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine

6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine (PubChem CID 166828351) has the molecular formula C6H6F3N5 and a molecular weight of 205.14 g/mol. Its IUPAC name is 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine.

Molecular Properties

Compound Name6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine
PubChem CID166828351
Molecular FormulaC6H6F3N5
Molecular Weight205.14 g/mol
Exact Mass205.06
IUPAC Name6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine
SMILESCc1[nH]n2c(C(F)(F)F)nnc2c1N
InChIInChI=1S/C6H6F3N5/c1-2-3(10)4-11-12-5(6(7,8)9)14(4)13-2/h13H,10H2,1H3
InChIKeyJVRFXRNTCDDZRP-UHFFFAOYSA-N
XLogP0.97
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine?
The IUPAC name of 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine (CID 166828351) is 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine.
What is the SMILES notation for 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine?
The canonical SMILES for 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine is Cc1[nH]n2c(C(F)(F)F)nnc2c1N.
What is the InChIKey of 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine?
The InChIKey is JVRFXRNTCDDZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N5/c1-2-3(10)4-11-12-5(6(7,8)9)14(4)13-2/h13H,10H2,1H3.
What are the key properties of 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine?
6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine has a molecular weight of 205.14 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine is sourced from PubChem (CID 166828351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).