2-(furan-2-yl)-6-[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyprop-1-ynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C17H12F3N7O2 — CID 11153902

IUPAC2-(furan-2-yl)-6-[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyprop-1-ynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCn1nc(OCC#Cc2cn3nc(-c4ccco4)nc3c(N)n2)cc1C(F)(F)F
InChIInChI=1S/C17H12F3N7O2/c1-26-12(17(18,19)20)8-13(24-26)29-7-2-4-10-9-27-16(14(21)22-10)23-15(25-27)11-5-3-6-28-11/h3,5-6,8-9H,7H2,1H3,(H2,21,22)
InChIKeyGWPPGBNJEPCADW-UHFFFAOYSA-N
MW403.32 g/mol
LogP2.15
Rot. Bonds3

About 2-(furan-2-yl)-6-[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyprop-1-ynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

2-(furan-2-yl)-6-[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyprop-1-ynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 11153902) has the molecular formula C17H12F3N7O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyprop-1-ynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-6-[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyprop-1-ynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID11153902
Molecular FormulaC17H12F3N7O2
Molecular Weight403.32 g/mol
Exact Mass403.10
IUPAC Name2-(furan-2-yl)-6-[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyprop-1-ynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCn1nc(OCC#Cc2cn3nc(-c4ccco4)nc3c(N)n2)cc1C(F)(F)F
InChIInChI=1S/C17H12F3N7O2/c1-26-12(17(18,19)20)8-13(24-26)29-7-2-4-10-9-27-16(14(21)22-10)23-15(25-27)11-5-3-6-28-11/h3,5-6,8-9H,7H2,1H3,(H2,21,22)
InChIKeyGWPPGBNJEPCADW-UHFFFAOYSA-N
XLogP2.15
TPSA109.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyprop-1-ynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 2-(furan-2-yl)-6-[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyprop-1-ynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 11153902) is 2-(furan-2-yl)-6-[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyprop-1-ynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 2-(furan-2-yl)-6-[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyprop-1-ynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 2-(furan-2-yl)-6-[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyprop-1-ynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is Cn1nc(OCC#Cc2cn3nc(-c4ccco4)nc3c(N)n2)cc1C(F)(F)F.
What is the InChIKey of 2-(furan-2-yl)-6-[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyprop-1-ynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is GWPPGBNJEPCADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N7O2/c1-26-12(17(18,19)20)8-13(24-26)29-7-2-4-10-9-27-16(14(21)22-10)23-15(25-27)11-5-3-6-28-11/h3,5-6,8-9H,7H2,1H3,(H2,21,22).
What are the key properties of 2-(furan-2-yl)-6-[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyprop-1-ynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
2-(furan-2-yl)-6-[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyprop-1-ynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 403.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyprop-1-ynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 11153902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).