8-benzyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

C14H12F3N5 — CID 24874297

IUPAC8-benzyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCNc1nc(C(F)(F)F)nc2c(Cc3ccccc3)cnn12
InChIInChI=1S/C14H12F3N5/c1-18-13-21-12(14(15,16)17)20-11-10(8-19-22(11)13)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,18,20,21)
InChIKeyZCPOESSOZWZOOE-UHFFFAOYSA-N
MW307.28 g/mol
LogP2.78
Rot. Bonds3

About 8-benzyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

8-benzyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 24874297) has the molecular formula C14H12F3N5 and a molecular weight of 307.28 g/mol. Its IUPAC name is 8-benzyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-benzyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID24874297
Molecular FormulaC14H12F3N5
Molecular Weight307.28 g/mol
Exact Mass307.10
IUPAC Name8-benzyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCNc1nc(C(F)(F)F)nc2c(Cc3ccccc3)cnn12
InChIInChI=1S/C14H12F3N5/c1-18-13-21-12(14(15,16)17)20-11-10(8-19-22(11)13)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,18,20,21)
InChIKeyZCPOESSOZWZOOE-UHFFFAOYSA-N
XLogP2.78
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-benzyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 24874297) is 8-benzyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-benzyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-benzyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is CNc1nc(C(F)(F)F)nc2c(Cc3ccccc3)cnn12.
What is the InChIKey of 8-benzyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is ZCPOESSOZWZOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5/c1-18-13-21-12(14(15,16)17)20-11-10(8-19-22(11)13)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,18,20,21).
What are the key properties of 8-benzyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-benzyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 307.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 24874297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).