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

C10H15F3N6 — CID 64575440

IUPACN'-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide
SMILESCC(C)/N=C(\N)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H15F3N6/c1-6(2)15-9(14)18-3-4-19-7(5-18)16-17-8(19)10(11,12)13/h6H,3-5H2,1-2H3,(H2,14,15)
InChIKeyVRPGSWRVNFBRAN-UHFFFAOYSA-N
MW276.27 g/mol
LogP0.84
Rot. Bonds1

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

N'-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide (PubChem CID 64575440) has the molecular formula C10H15F3N6 and a molecular weight of 276.27 g/mol. Its IUPAC name is N'-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide.

Molecular Properties

Compound NameN'-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide
PubChem CID64575440
Molecular FormulaC10H15F3N6
Molecular Weight276.27 g/mol
Exact Mass276.13
IUPAC NameN'-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide
SMILESCC(C)/N=C(\N)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H15F3N6/c1-6(2)15-9(14)18-3-4-19-7(5-18)16-17-8(19)10(11,12)13/h6H,3-5H2,1-2H3,(H2,14,15)
InChIKeyVRPGSWRVNFBRAN-UHFFFAOYSA-N
XLogP0.84
TPSA72.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.84
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'-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide?
The IUPAC name of N'-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide (CID 64575440) is N'-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide.
What is the SMILES notation for N'-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide?
The canonical SMILES for N'-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide is CC(C)/N=C(\N)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of N'-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide?
The InChIKey is VRPGSWRVNFBRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N6/c1-6(2)15-9(14)18-3-4-19-7(5-18)16-17-8(19)10(11,12)13/h6H,3-5H2,1-2H3,(H2,14,15).
What are the key properties of N'-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide?
N'-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide has a molecular weight of 276.27 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide is sourced from PubChem (CID 64575440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).