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

C7H11N3 — CID 177227339

IUPAC6-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCCC1Cc2nncn2C1
InChIInChI=1S/C7H11N3/c1-2-6-3-7-9-8-5-10(7)4-6/h5-6H,2-4H2,1H3
InChIKeyGCLGMROWVHKTSO-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.86
Rot. Bonds1

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

6-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 177227339) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 6-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name6-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID177227339
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name6-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCCC1Cc2nncn2C1
InChIInChI=1S/C7H11N3/c1-2-6-3-7-9-8-5-10(7)4-6/h5-6H,2-4H2,1H3
InChIKeyGCLGMROWVHKTSO-UHFFFAOYSA-N
XLogP0.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 6-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 177227339) is 6-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 6-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 6-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is CCC1Cc2nncn2C1.
What is the InChIKey of 6-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is GCLGMROWVHKTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-6-3-7-9-8-5-10(7)4-6/h5-6H,2-4H2,1H3.
What are the key properties of 6-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
6-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 137.19 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 177227339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).