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

C6H7N3O2 — CID 83815373

IUPAC6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid
SMILESO=C(O)C1Cc2nncn2C1
InChIInChI=1S/C6H7N3O2/c10-6(11)4-1-5-8-7-3-9(5)2-4/h3-4H,1-2H2,(H,10,11)
InChIKeyCNSFFNFCXAUEHF-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.47
Rot. Bonds1

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

6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid (PubChem CID 83815373) 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-6-carboxylic acid.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid
PubChem CID83815373
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid
SMILESO=C(O)C1Cc2nncn2C1
InChIInChI=1S/C6H7N3O2/c10-6(11)4-1-5-8-7-3-9(5)2-4/h3-4H,1-2H2,(H,10,11)
InChIKeyCNSFFNFCXAUEHF-UHFFFAOYSA-N
XLogP-0.47
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 ≤ 5-0.47
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-6-carboxylic acid?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid (CID 83815373) is 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid is O=C(O)C1Cc2nncn2C1.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid?
The InChIKey is CNSFFNFCXAUEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c10-6(11)4-1-5-8-7-3-9(5)2-4/h3-4H,1-2H2,(H,10,11).
What are the key properties of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid?
6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of -0.47, 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-6-carboxylic acid is sourced from PubChem (CID 83815373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).