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

C12H14F3N5 — CID 68940652

IUPAC8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCNc1nc(C(F)(F)F)nc2c(C3CCCC3)cnn12
InChIInChI=1S/C12H14F3N5/c1-16-11-19-10(12(13,14)15)18-9-8(6-17-20(9)11)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,16,18,19)
InChIKeyGPFQNPBPPBAPPO-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.84
Rot. Bonds2

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

8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 68940652) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID68940652
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCNc1nc(C(F)(F)F)nc2c(C3CCCC3)cnn12
InChIInChI=1S/C12H14F3N5/c1-16-11-19-10(12(13,14)15)18-9-8(6-17-20(9)11)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,16,18,19)
InChIKeyGPFQNPBPPBAPPO-UHFFFAOYSA-N
XLogP2.84
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 68940652) is 8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is CNc1nc(C(F)(F)F)nc2c(C3CCCC3)cnn12.
What is the InChIKey of 8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is GPFQNPBPPBAPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-16-11-19-10(12(13,14)15)18-9-8(6-17-20(9)11)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,16,18,19).
What are the key properties of 8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 285.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 68940652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).