2-(difluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

C6H7F2N3 — CID 138553683

IUPAC2-(difluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESFC(F)c1nc2n(n1)CCC2
InChIInChI=1S/C6H7F2N3/c7-5(8)6-9-4-2-1-3-11(4)10-6/h5H,1-3H2
InChIKeyLFGNFDVRGGATFW-UHFFFAOYSA-N
MW159.14 g/mol
LogP1.16
Rot. Bonds1

About 2-(difluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

2-(difluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 138553683) has the molecular formula C6H7F2N3 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-(difluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name2-(difluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID138553683
Molecular FormulaC6H7F2N3
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Name2-(difluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESFC(F)c1nc2n(n1)CCC2
InChIInChI=1S/C6H7F2N3/c7-5(8)6-9-4-2-1-3-11(4)10-6/h5H,1-3H2
InChIKeyLFGNFDVRGGATFW-UHFFFAOYSA-N
XLogP1.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of 2-(difluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 138553683) is 2-(difluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 2-(difluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for 2-(difluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is FC(F)c1nc2n(n1)CCC2.
What is the InChIKey of 2-(difluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is LFGNFDVRGGATFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3/c7-5(8)6-9-4-2-1-3-11(4)10-6/h5H,1-3H2.
What are the key properties of 2-(difluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
2-(difluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 159.14 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 138553683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).