N-cyclopropyl-8-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

C14H12F3N5O — CID 68940787

IUPACN-cyclopropyl-8-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESFC(F)(F)c1nc(NC2CC2)n2ncc(Cc3ccoc3)c2n1
InChIInChI=1S/C14H12F3N5O/c15-14(16,17)12-20-11-9(5-8-3-4-23-7-8)6-18-22(11)13(21-12)19-10-1-2-10/h3-4,6-7,10H,1-2,5H2,(H,19,20,21)
InChIKeyIADJHPGDWAYHJC-UHFFFAOYSA-N
MW323.28 g/mol
LogP2.90
Rot. Bonds4

About N-cyclopropyl-8-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

N-cyclopropyl-8-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 68940787) has the molecular formula C14H12F3N5O and a molecular weight of 323.28 g/mol. Its IUPAC name is N-cyclopropyl-8-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-8-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID68940787
Molecular FormulaC14H12F3N5O
Molecular Weight323.28 g/mol
Exact Mass323.10
IUPAC NameN-cyclopropyl-8-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESFC(F)(F)c1nc(NC2CC2)n2ncc(Cc3ccoc3)c2n1
InChIInChI=1S/C14H12F3N5O/c15-14(16,17)12-20-11-9(5-8-3-4-23-7-8)6-18-22(11)13(21-12)19-10-1-2-10/h3-4,6-7,10H,1-2,5H2,(H,19,20,21)
InChIKeyIADJHPGDWAYHJC-UHFFFAOYSA-N
XLogP2.90
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-cyclopropyl-8-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 68940787) is N-cyclopropyl-8-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-cyclopropyl-8-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-cyclopropyl-8-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is FC(F)(F)c1nc(NC2CC2)n2ncc(Cc3ccoc3)c2n1.
What is the InChIKey of N-cyclopropyl-8-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is IADJHPGDWAYHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O/c15-14(16,17)12-20-11-9(5-8-3-4-23-7-8)6-18-22(11)13(21-12)19-10-1-2-10/h3-4,6-7,10H,1-2,5H2,(H,19,20,21).
What are the key properties of N-cyclopropyl-8-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-cyclopropyl-8-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 323.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 68940787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).