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

C6H8ClN3O2 — CID 138990977

IUPAC6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1Cc2nncn2C1
InChIInChI=1S/C6H7N3O2.ClH/c10-6(11)4-1-5-8-7-3-9(5)2-4;/h3-4H,1-2H2,(H,10,11);1H
InChIKeyRJOQAXPJXHOBPZ-UHFFFAOYSA-N
MW189.60 g/mol
LogP-0.04
Rot. Bonds1

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

6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid;hydrochloride (PubChem CID 138990977) has the molecular formula C6H8ClN3O2 and a molecular weight of 189.60 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid;hydrochloride
PubChem CID138990977
Molecular FormulaC6H8ClN3O2
Molecular Weight189.60 g/mol
Exact Mass189.03
IUPAC Name6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1Cc2nncn2C1
InChIInChI=1S/C6H7N3O2.ClH/c10-6(11)4-1-5-8-7-3-9(5)2-4;/h3-4H,1-2H2,(H,10,11);1H
InChIKeyRJOQAXPJXHOBPZ-UHFFFAOYSA-N
XLogP-0.04
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 5-0.04
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;hydrochloride?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid;hydrochloride (CID 138990977) is 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid;hydrochloride.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid;hydrochloride?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid;hydrochloride is Cl.O=C(O)C1Cc2nncn2C1.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid;hydrochloride?
The InChIKey is RJOQAXPJXHOBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2.ClH/c10-6(11)4-1-5-8-7-3-9(5)2-4;/h3-4H,1-2H2,(H,10,11);1H.
What are the key properties of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid;hydrochloride?
6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid;hydrochloride has a molecular weight of 189.60 g/mol, XLogP of -0.04, 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;hydrochloride is sourced from PubChem (CID 138990977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).