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

C9H9F4N5 — CID 114169620

IUPAC3-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NCC(F)(F)C(F)F)nccn12
InChIInChI=1S/C9H9F4N5/c1-5-16-17-7-6(14-2-3-18(5)7)15-4-9(12,13)8(10)11/h2-3,8H,4H2,1H3,(H,14,15)
InChIKeyQGRIRUQRNRYDSZ-UHFFFAOYSA-N
MW263.20 g/mol
LogP1.75
Rot. Bonds4

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

3-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 114169620) has the molecular formula C9H9F4N5 and a molecular weight of 263.20 g/mol. Its IUPAC name is 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID114169620
Molecular FormulaC9H9F4N5
Molecular Weight263.20 g/mol
Exact Mass263.08
IUPAC Name3-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NCC(F)(F)C(F)F)nccn12
InChIInChI=1S/C9H9F4N5/c1-5-16-17-7-6(14-2-3-18(5)7)15-4-9(12,13)8(10)11/h2-3,8H,4H2,1H3,(H,14,15)
InChIKeyQGRIRUQRNRYDSZ-UHFFFAOYSA-N
XLogP1.75
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 114169620) is 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1nnc2c(NCC(F)(F)C(F)F)nccn12.
What is the InChIKey of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is QGRIRUQRNRYDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N5/c1-5-16-17-7-6(14-2-3-18(5)7)15-4-9(12,13)8(10)11/h2-3,8H,4H2,1H3,(H,14,15).
What are the key properties of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 263.20 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 114169620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).