8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide

C10H11F3N6 — CID 121348261

IUPAC8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide
SMILES[H]/N=C(\N)c1cn2ncnc2c(CCCC(F)(F)F)n1
InChIInChI=1S/C10H11F3N6/c11-10(12,13)3-1-2-6-9-16-5-17-19(9)4-7(18-6)8(14)15/h4-5H,1-3H2,(H3,14,15)
InChIKeyYVFAFNJAPAHZAS-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.29
Rot. Bonds4

About 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide

8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide (PubChem CID 121348261) has the molecular formula C10H11F3N6 and a molecular weight of 272.23 g/mol. Its IUPAC name is 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide.

Molecular Properties

Compound Name8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide
PubChem CID121348261
Molecular FormulaC10H11F3N6
Molecular Weight272.23 g/mol
Exact Mass272.10
IUPAC Name8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide
SMILES[H]/N=C(\N)c1cn2ncnc2c(CCCC(F)(F)F)n1
InChIInChI=1S/C10H11F3N6/c11-10(12,13)3-1-2-6-9-16-5-17-19(9)4-7(18-6)8(14)15/h4-5H,1-3H2,(H3,14,15)
InChIKeyYVFAFNJAPAHZAS-UHFFFAOYSA-N
XLogP1.29
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide?
The IUPAC name of 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide (CID 121348261) is 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide.
What is the SMILES notation for 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide?
The canonical SMILES for 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide is [H]/N=C(\N)c1cn2ncnc2c(CCCC(F)(F)F)n1.
What is the InChIKey of 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide?
The InChIKey is YVFAFNJAPAHZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6/c11-10(12,13)3-1-2-6-9-16-5-17-19(9)4-7(18-6)8(14)15/h4-5H,1-3H2,(H3,14,15).
What are the key properties of 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide?
8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide has a molecular weight of 272.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboximidamide is sourced from PubChem (CID 121348261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).