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

C8H10N4O2 — CID 79896795

IUPAC3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)prop-2-enoic acid
SMILESO=C(O)C=CN1CCn2cnnc2C1
InChIInChI=1S/C8H10N4O2/c13-8(14)1-2-11-3-4-12-6-9-10-7(12)5-11/h1-2,6H,3-5H2,(H,13,14)
InChIKeyNJAAHLZSEIETQZ-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.31
Rot. Bonds2

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

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)prop-2-enoic acid (PubChem CID 79896795) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)prop-2-enoic acid
PubChem CID79896795
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)prop-2-enoic acid
SMILESO=C(O)C=CN1CCn2cnnc2C1
InChIInChI=1S/C8H10N4O2/c13-8(14)1-2-11-3-4-12-6-9-10-7(12)5-11/h1-2,6H,3-5H2,(H,13,14)
InChIKeyNJAAHLZSEIETQZ-UHFFFAOYSA-N
XLogP-0.31
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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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)prop-2-enoic acid?
The IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)prop-2-enoic acid (CID 79896795) is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)prop-2-enoic acid?
The canonical SMILES for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)prop-2-enoic acid is O=C(O)C=CN1CCn2cnnc2C1.
What is the InChIKey of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)prop-2-enoic acid?
The InChIKey is NJAAHLZSEIETQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c13-8(14)1-2-11-3-4-12-6-9-10-7(12)5-11/h1-2,6H,3-5H2,(H,13,14).
What are the key properties of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)prop-2-enoic acid?
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)prop-2-enoic acid has a molecular weight of 194.19 g/mol, XLogP of -0.31, 2 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)prop-2-enoic acid is sourced from PubChem (CID 79896795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).