N'-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide

C10H13F3N6 — CID 64575633

IUPACN'-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide
SMILESN/C(=N\C1CC1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H13F3N6/c11-10(12,13)8-17-16-7-5-18(3-4-19(7)8)9(14)15-6-1-2-6/h6H,1-5H2,(H2,14,15)
InChIKeyAATZUQAWKJDIEC-UHFFFAOYSA-N
MW274.25 g/mol
LogP0.59
Rot. Bonds1

About N'-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide

N'-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide (PubChem CID 64575633) has the molecular formula C10H13F3N6 and a molecular weight of 274.25 g/mol. Its IUPAC name is N'-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide
PubChem CID64575633
Molecular FormulaC10H13F3N6
Molecular Weight274.25 g/mol
Exact Mass274.12
IUPAC NameN'-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide
SMILESN/C(=N\C1CC1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H13F3N6/c11-10(12,13)8-17-16-7-5-18(3-4-19(7)8)9(14)15-6-1-2-6/h6H,1-5H2,(H2,14,15)
InChIKeyAATZUQAWKJDIEC-UHFFFAOYSA-N
XLogP0.59
TPSA72.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N'-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide?
The IUPAC name of N'-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide (CID 64575633) is N'-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide?
The canonical SMILES for N'-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide is N/C(=N\C1CC1)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of N'-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide?
The InChIKey is AATZUQAWKJDIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N6/c11-10(12,13)8-17-16-7-5-18(3-4-19(7)8)9(14)15-6-1-2-6/h6H,1-5H2,(H2,14,15).
What are the key properties of N'-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide?
N'-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide has a molecular weight of 274.25 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide is sourced from PubChem (CID 64575633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).