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

C9H10F3N5O3 — CID 64576804

IUPAC2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C9H10F3N5O3/c10-9(11,12)7-15-14-5-4-16(1-2-17(5)7)8(20)13-3-6(18)19/h1-4H2,(H,13,20)(H,18,19)
InChIKeyRDPODFVJCAEKGF-UHFFFAOYSA-N
MW293.21 g/mol
LogP-0.09
Rot. Bonds2

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

2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]acetic acid (PubChem CID 64576804) has the molecular formula C9H10F3N5O3 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]acetic acid
PubChem CID64576804
Molecular FormulaC9H10F3N5O3
Molecular Weight293.21 g/mol
Exact Mass293.07
IUPAC Name2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C9H10F3N5O3/c10-9(11,12)7-15-14-5-4-16(1-2-17(5)7)8(20)13-3-6(18)19/h1-4H2,(H,13,20)(H,18,19)
InChIKeyRDPODFVJCAEKGF-UHFFFAOYSA-N
XLogP-0.09
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]acetic acid (CID 64576804) is 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]acetic acid is O=C(O)CNC(=O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]acetic acid?
The InChIKey is RDPODFVJCAEKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O3/c10-9(11,12)7-15-14-5-4-16(1-2-17(5)7)8(20)13-3-6(18)19/h1-4H2,(H,13,20)(H,18,19).
What are the key properties of 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]acetic acid?
2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]acetic acid has a molecular weight of 293.21 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]acetic acid is sourced from PubChem (CID 64576804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).