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

C5H7N3S — CID 14884681

IUPAC6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-thiol
SMILESSC1Cc2nncn2C1
InChIInChI=1S/C5H7N3S/c9-4-1-5-7-6-3-8(5)2-4/h3-4,9H,1-2H2
InChIKeyIDXTZTFIQLYHFM-UHFFFAOYSA-N
MW141.20 g/mol
LogP0.13
Rot. Bonds

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

6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-thiol (PubChem CID 14884681) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-thiol.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-thiol
PubChem CID14884681
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-thiol
SMILESSC1Cc2nncn2C1
InChIInChI=1S/C5H7N3S/c9-4-1-5-7-6-3-8(5)2-4/h3-4,9H,1-2H2
InChIKeyIDXTZTFIQLYHFM-UHFFFAOYSA-N
XLogP0.13
TPSA30.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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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-thiol?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-thiol (CID 14884681) is 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-thiol.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-thiol?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-thiol is SC1Cc2nncn2C1.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-thiol?
The InChIKey is IDXTZTFIQLYHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S/c9-4-1-5-7-6-3-8(5)2-4/h3-4,9H,1-2H2.
What are the key properties of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-thiol?
6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-thiol has a molecular weight of 141.20 g/mol, XLogP of 0.13, 0 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-thiol is sourced from PubChem (CID 14884681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).