2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid

C10H12F3N5O3 — CID 79264663

IUPAC2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)N1CCn2cnnc2C1
InChIInChI=1S/C10H12F3N5O3/c11-10(12,13)5-18(4-8(19)20)9(21)16-1-2-17-6-14-15-7(17)3-16/h6H,1-5H2,(H,19,20)
InChIKeySOYCDXAAJPNOGV-UHFFFAOYSA-N
MW307.23 g/mol
LogP0.16
Rot. Bonds3

About 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79264663) has the molecular formula C10H12F3N5O3 and a molecular weight of 307.23 g/mol. Its IUPAC name is 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79264663
Molecular FormulaC10H12F3N5O3
Molecular Weight307.23 g/mol
Exact Mass307.09
IUPAC Name2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)N1CCn2cnnc2C1
InChIInChI=1S/C10H12F3N5O3/c11-10(12,13)5-18(4-8(19)20)9(21)16-1-2-17-6-14-15-7(17)3-16/h6H,1-5H2,(H,19,20)
InChIKeySOYCDXAAJPNOGV-UHFFFAOYSA-N
XLogP0.16
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79264663) is 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)N1CCn2cnnc2C1.
What is the InChIKey of 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is SOYCDXAAJPNOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O3/c11-10(12,13)5-18(4-8(19)20)9(21)16-1-2-17-6-14-15-7(17)3-16/h6H,1-5H2,(H,19,20).
What are the key properties of 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 307.23 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79264663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).