N-(2-aminoethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide

C10H15F3N6O — CID 64575503

IUPACN-(2-aminoethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
SMILESNCCNC(=O)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H15F3N6O/c11-10(12,13)9-17-16-7-5-18(3-4-19(7)9)6-8(20)15-2-1-14/h1-6,14H2,(H,15,20)
InChIKeyPSNNGUXOTTZWIJ-UHFFFAOYSA-N
MW292.27 g/mol
LogP-0.81
Rot. Bonds4

About N-(2-aminoethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide

N-(2-aminoethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide (PubChem CID 64575503) has the molecular formula C10H15F3N6O and a molecular weight of 292.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
PubChem CID64575503
Molecular FormulaC10H15F3N6O
Molecular Weight292.27 g/mol
Exact Mass292.13
IUPAC NameN-(2-aminoethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
SMILESNCCNC(=O)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H15F3N6O/c11-10(12,13)9-17-16-7-5-18(3-4-19(7)9)6-8(20)15-2-1-14/h1-6,14H2,(H,15,20)
InChIKeyPSNNGUXOTTZWIJ-UHFFFAOYSA-N
XLogP-0.81
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide (CID 64575503) is N-(2-aminoethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide is NCCNC(=O)CN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of N-(2-aminoethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide?
The InChIKey is PSNNGUXOTTZWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N6O/c11-10(12,13)9-17-16-7-5-18(3-4-19(7)9)6-8(20)15-2-1-14/h1-6,14H2,(H,15,20).
What are the key properties of N-(2-aminoethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide?
N-(2-aminoethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide has a molecular weight of 292.27 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide is sourced from PubChem (CID 64575503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).