3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole

C7H9N3 — CID 89233363

IUPAC3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCCc1nnc2n1CC=C2
InChIInChI=1S/C7H9N3/c1-2-6-8-9-7-4-3-5-10(6)7/h3-4H,2,5H2,1H3
InChIKeyXRRXYOMYXLFMBZ-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.87
Rot. Bonds1

About 3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole

3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 89233363) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID89233363
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCCc1nnc2n1CC=C2
InChIInChI=1S/C7H9N3/c1-2-6-8-9-7-4-3-5-10(6)7/h3-4H,2,5H2,1H3
InChIKeyXRRXYOMYXLFMBZ-UHFFFAOYSA-N
XLogP0.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 89233363) is 3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole is CCc1nnc2n1CC=C2.
What is the InChIKey of 3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is XRRXYOMYXLFMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-6-8-9-7-4-3-5-10(6)7/h3-4H,2,5H2,1H3.
What are the key properties of 3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 135.17 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 89233363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).