3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2,2,3-trimethylbutanoic acid

C13H21N5O3 — CID 65265083

IUPAC3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)N1CCn2cnnc2C1)C(C)(C)C(=O)O
InChIInChI=1S/C13H21N5O3/c1-12(2,10(19)20)13(3,4)15-11(21)17-5-6-18-8-14-16-9(18)7-17/h8H,5-7H2,1-4H3,(H,15,21)(H,19,20)
InChIKeyUOTJCXGILBBADH-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.69
Rot. Bonds3

About 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2,2,3-trimethylbutanoic acid

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2,2,3-trimethylbutanoic acid (PubChem CID 65265083) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2,2,3-trimethylbutanoic acid
PubChem CID65265083
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)N1CCn2cnnc2C1)C(C)(C)C(=O)O
InChIInChI=1S/C13H21N5O3/c1-12(2,10(19)20)13(3,4)15-11(21)17-5-6-18-8-14-16-9(18)7-17/h8H,5-7H2,1-4H3,(H,15,21)(H,19,20)
InChIKeyUOTJCXGILBBADH-UHFFFAOYSA-N
XLogP0.69
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2,2,3-trimethylbutanoic acid (CID 65265083) is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2,2,3-trimethylbutanoic acid is CC(C)(NC(=O)N1CCn2cnnc2C1)C(C)(C)C(=O)O.
What is the InChIKey of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2,2,3-trimethylbutanoic acid?
The InChIKey is UOTJCXGILBBADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-12(2,10(19)20)13(3,4)15-11(21)17-5-6-18-8-14-16-9(18)7-17/h8H,5-7H2,1-4H3,(H,15,21)(H,19,20).
What are the key properties of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2,2,3-trimethylbutanoic acid?
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2,2,3-trimethylbutanoic acid has a molecular weight of 295.34 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65265083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).