3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylpropanoic acid

C10H16N4O2 — CID 64578862

IUPAC3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCn2cnnc2C1)C(=O)O
InChIInChI=1S/C10H16N4O2/c1-10(2,9(15)16)6-13-3-4-14-7-11-12-8(14)5-13/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyYRBQVMXWRWTPID-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.20
Rot. Bonds3

About 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylpropanoic acid

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylpropanoic acid (PubChem CID 64578862) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylpropanoic acid
PubChem CID64578862
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCn2cnnc2C1)C(=O)O
InChIInChI=1S/C10H16N4O2/c1-10(2,9(15)16)6-13-3-4-14-7-11-12-8(14)5-13/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyYRBQVMXWRWTPID-UHFFFAOYSA-N
XLogP0.20
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
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]pyrazin-7-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylpropanoic acid (CID 64578862) is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylpropanoic acid is CC(C)(CN1CCn2cnnc2C1)C(=O)O.
What is the InChIKey of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylpropanoic acid?
The InChIKey is YRBQVMXWRWTPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-10(2,9(15)16)6-13-3-4-14-7-11-12-8(14)5-13/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylpropanoic acid?
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylpropanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 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]pyrazin-7-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 64578862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).