2-cyclopropyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

C8H10FN3 — CID 138504529

IUPAC2-cyclopropyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESFC1CCn2nc(C3CC3)nc21
InChIInChI=1S/C8H10FN3/c9-6-3-4-12-8(6)10-7(11-12)5-1-2-5/h5-6H,1-4H2
InChIKeyULKXAWYASNDYTM-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.57
Rot. Bonds1

About 2-cyclopropyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

2-cyclopropyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 138504529) has the molecular formula C8H10FN3 and a molecular weight of 167.19 g/mol. Its IUPAC name is 2-cyclopropyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name2-cyclopropyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID138504529
Molecular FormulaC8H10FN3
Molecular Weight167.19 g/mol
Exact Mass167.09
IUPAC Name2-cyclopropyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESFC1CCn2nc(C3CC3)nc21
InChIInChI=1S/C8H10FN3/c9-6-3-4-12-8(6)10-7(11-12)5-1-2-5/h5-6H,1-4H2
InChIKeyULKXAWYASNDYTM-UHFFFAOYSA-N
XLogP1.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of 2-cyclopropyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 138504529) is 2-cyclopropyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 2-cyclopropyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for 2-cyclopropyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is FC1CCn2nc(C3CC3)nc21.
What is the InChIKey of 2-cyclopropyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is ULKXAWYASNDYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3/c9-6-3-4-12-8(6)10-7(11-12)5-1-2-5/h5-6H,1-4H2.
What are the key properties of 2-cyclopropyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
2-cyclopropyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 167.19 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 138504529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).