2-imidazo[2,1-c][1,2,4]triazin-6-ylpropanoic acid

C8H8N4O2 — CID 82402944

IUPAC2-imidazo[2,1-c][1,2,4]triazin-6-ylpropanoic acid
SMILESCC(C(=O)O)c1cnc2nnccn12
InChIInChI=1S/C8H8N4O2/c1-5(7(13)14)6-4-9-8-11-10-2-3-12(6)8/h2-5H,1H3,(H,13,14)
InChIKeyYMPKUBWIKYWNFV-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.31
Rot. Bonds2

About 2-imidazo[2,1-c][1,2,4]triazin-6-ylpropanoic acid

2-imidazo[2,1-c][1,2,4]triazin-6-ylpropanoic acid (PubChem CID 82402944) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-imidazo[2,1-c][1,2,4]triazin-6-ylpropanoic acid.

Molecular Properties

Compound Name2-imidazo[2,1-c][1,2,4]triazin-6-ylpropanoic acid
PubChem CID82402944
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name2-imidazo[2,1-c][1,2,4]triazin-6-ylpropanoic acid
SMILESCC(C(=O)O)c1cnc2nnccn12
InChIInChI=1S/C8H8N4O2/c1-5(7(13)14)6-4-9-8-11-10-2-3-12(6)8/h2-5H,1H3,(H,13,14)
InChIKeyYMPKUBWIKYWNFV-UHFFFAOYSA-N
XLogP0.31
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-c][1,2,4]triazin-6-ylpropanoic acid?
The IUPAC name of 2-imidazo[2,1-c][1,2,4]triazin-6-ylpropanoic acid (CID 82402944) is 2-imidazo[2,1-c][1,2,4]triazin-6-ylpropanoic acid.
What is the SMILES notation for 2-imidazo[2,1-c][1,2,4]triazin-6-ylpropanoic acid?
The canonical SMILES for 2-imidazo[2,1-c][1,2,4]triazin-6-ylpropanoic acid is CC(C(=O)O)c1cnc2nnccn12.
What is the InChIKey of 2-imidazo[2,1-c][1,2,4]triazin-6-ylpropanoic acid?
The InChIKey is YMPKUBWIKYWNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-5(7(13)14)6-4-9-8-11-10-2-3-12(6)8/h2-5H,1H3,(H,13,14).
What are the key properties of 2-imidazo[2,1-c][1,2,4]triazin-6-ylpropanoic acid?
2-imidazo[2,1-c][1,2,4]triazin-6-ylpropanoic acid has a molecular weight of 192.18 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 2-imidazo[2,1-c][1,2,4]triazin-6-ylpropanoic acid is sourced from PubChem (CID 82402944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).