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

C10H13F3N6O2 — CID 64575793

IUPAC2-amino-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]acetamide
SMILESNCC(=O)NCC(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H13F3N6O2/c11-10(12,13)9-17-16-6-5-18(1-2-19(6)9)8(21)4-15-7(20)3-14/h1-5,14H2,(H,15,20)
InChIKeyCOKDKGACICPTND-UHFFFAOYSA-N
MW306.25 g/mol
LogP-1.29
Rot. Bonds3

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

2-amino-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]acetamide (PubChem CID 64575793) has the molecular formula C10H13F3N6O2 and a molecular weight of 306.25 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]acetamide
PubChem CID64575793
Molecular FormulaC10H13F3N6O2
Molecular Weight306.25 g/mol
Exact Mass306.11
IUPAC Name2-amino-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]acetamide
SMILESNCC(=O)NCC(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H13F3N6O2/c11-10(12,13)9-17-16-6-5-18(1-2-19(6)9)8(21)4-15-7(20)3-14/h1-5,14H2,(H,15,20)
InChIKeyCOKDKGACICPTND-UHFFFAOYSA-N
XLogP-1.29
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]acetamide (CID 64575793) is 2-amino-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]acetamide is NCC(=O)NCC(=O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 2-amino-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]acetamide?
The InChIKey is COKDKGACICPTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N6O2/c11-10(12,13)9-17-16-6-5-18(1-2-19(6)9)8(21)4-15-7(20)3-14/h1-5,14H2,(H,15,20).
What are the key properties of 2-amino-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]acetamide?
2-amino-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]acetamide has a molecular weight of 306.25 g/mol, XLogP of -1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]acetamide is sourced from PubChem (CID 64575793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).