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

C9H14N4O2 — CID 64576112

IUPAC3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropanoic acid
SMILESCC(CN1CCn2cnnc2C1)C(=O)O
InChIInChI=1S/C9H14N4O2/c1-7(9(14)15)4-12-2-3-13-6-10-11-8(13)5-12/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyOVVVGHZRFUJSAM-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.19
Rot. Bonds3

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

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropanoic acid (PubChem CID 64576112) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropanoic acid
PubChem CID64576112
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropanoic acid
SMILESCC(CN1CCn2cnnc2C1)C(=O)O
InChIInChI=1S/C9H14N4O2/c1-7(9(14)15)4-12-2-3-13-6-10-11-8(13)5-12/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyOVVVGHZRFUJSAM-UHFFFAOYSA-N
XLogP-0.19
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.19
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-methylpropanoic acid?
The IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropanoic acid (CID 64576112) is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropanoic acid is CC(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-methylpropanoic acid?
The InChIKey is OVVVGHZRFUJSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7(9(14)15)4-12-2-3-13-6-10-11-8(13)5-12/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropanoic acid?
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropanoic acid has a molecular weight of 210.24 g/mol, XLogP of -0.19, 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-methylpropanoic acid is sourced from PubChem (CID 64576112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).