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

C10H13F3N6O2 — CID 64574797

IUPACN-(2-aminoethyl)-2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
SMILESNCCNC(=O)C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H13F3N6O2/c11-10(12,13)9-17-16-6-5-18(3-4-19(6)9)8(21)7(20)15-2-1-14/h1-5,14H2,(H,15,20)
InChIKeyTUOGWKYCSJHIGF-UHFFFAOYSA-N
MW306.25 g/mol
LogP-1.29
Rot. Bonds2

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

N-(2-aminoethyl)-2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide (PubChem CID 64574797) has the molecular formula C10H13F3N6O2 and a molecular weight of 306.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-oxo-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-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
PubChem CID64574797
Molecular FormulaC10H13F3N6O2
Molecular Weight306.25 g/mol
Exact Mass306.11
IUPAC NameN-(2-aminoethyl)-2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
SMILESNCCNC(=O)C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H13F3N6O2/c11-10(12,13)9-17-16-6-5-18(3-4-19(6)9)8(21)7(20)15-2-1-14/h1-5,14H2,(H,15,20)
InChIKeyTUOGWKYCSJHIGF-UHFFFAOYSA-N
XLogP-1.29
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-oxo-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-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide (CID 64574797) is N-(2-aminoethyl)-2-oxo-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-oxo-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-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide is NCCNC(=O)C(=O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of N-(2-aminoethyl)-2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide?
The InChIKey is TUOGWKYCSJHIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N6O2/c11-10(12,13)9-17-16-6-5-18(3-4-19(6)9)8(21)7(20)15-2-1-14/h1-5,14H2,(H,15,20).
What are the key properties of N-(2-aminoethyl)-2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide?
N-(2-aminoethyl)-2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide has a molecular weight of 306.25 g/mol, XLogP of -1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide is sourced from PubChem (CID 64574797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).