6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid

C6H7N3O2 — CID 592621

IUPAC6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid
SMILESO=C(O)c1nnc2n1CCC2
InChIInChI=1S/C6H7N3O2/c10-6(11)5-8-7-4-2-1-3-9(4)5/h1-3H2,(H,10,11)
InChIKeyUOWJJYRMEMYUMS-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.08
Rot. Bonds1

About 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid

6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid (PubChem CID 592621) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid
PubChem CID592621
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid
SMILESO=C(O)c1nnc2n1CCC2
InChIInChI=1S/C6H7N3O2/c10-6(11)5-8-7-4-2-1-3-9(4)5/h1-3H2,(H,10,11)
InChIKeyUOWJJYRMEMYUMS-UHFFFAOYSA-N
XLogP-0.08
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid (CID 592621) is 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid is O=C(O)c1nnc2n1CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid?
The InChIKey is UOWJJYRMEMYUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c10-6(11)5-8-7-4-2-1-3-9(4)5/h1-3H2,(H,10,11).
What are the key properties of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid?
6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid is sourced from PubChem (CID 592621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).