N-(5,5,5-trifluoropentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C10H12F3N5 — CID 113320096

IUPACN-(5,5,5-trifluoropentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESFC(F)(F)CCCCNc1nccn2cnnc12
InChIInChI=1S/C10H12F3N5/c11-10(12,13)3-1-2-4-14-8-9-17-16-7-18(9)6-5-15-8/h5-7H,1-4H2,(H,14,15)
InChIKeySVAWZXSHNCTOQP-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.27
Rot. Bonds5

About N-(5,5,5-trifluoropentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-(5,5,5-trifluoropentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 113320096) has the molecular formula C10H12F3N5 and a molecular weight of 259.23 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID113320096
Molecular FormulaC10H12F3N5
Molecular Weight259.23 g/mol
Exact Mass259.10
IUPAC NameN-(5,5,5-trifluoropentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESFC(F)(F)CCCCNc1nccn2cnnc12
InChIInChI=1S/C10H12F3N5/c11-10(12,13)3-1-2-4-14-8-9-17-16-7-18(9)6-5-15-8/h5-7H,1-4H2,(H,14,15)
InChIKeySVAWZXSHNCTOQP-UHFFFAOYSA-N
XLogP2.27
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoropentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(5,5,5-trifluoropentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 113320096) is N-(5,5,5-trifluoropentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(5,5,5-trifluoropentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is FC(F)(F)CCCCNc1nccn2cnnc12.
What is the InChIKey of N-(5,5,5-trifluoropentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is SVAWZXSHNCTOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c11-10(12,13)3-1-2-4-14-8-9-17-16-7-18(9)6-5-15-8/h5-7H,1-4H2,(H,14,15).
What are the key properties of N-(5,5,5-trifluoropentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(5,5,5-trifluoropentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 259.23 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 113320096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).