7-fluoro-3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C6H8FN3 — CID 166824264

IUPAC7-fluoro-3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1nnc2n1CCC2F
InChIInChI=1S/C6H8FN3/c1-4-8-9-6-5(7)2-3-10(4)6/h5H,2-3H2,1H3
InChIKeyVBYALKZRRTVCKC-UHFFFAOYSA-N
MW141.15 g/mol
LogP1.00
Rot. Bonds

About 7-fluoro-3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

7-fluoro-3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 166824264) has the molecular formula C6H8FN3 and a molecular weight of 141.15 g/mol. Its IUPAC name is 7-fluoro-3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name7-fluoro-3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID166824264
Molecular FormulaC6H8FN3
Molecular Weight141.15 g/mol
Exact Mass141.07
IUPAC Name7-fluoro-3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1nnc2n1CCC2F
InChIInChI=1S/C6H8FN3/c1-4-8-9-6-5(7)2-3-10(4)6/h5H,2-3H2,1H3
InChIKeyVBYALKZRRTVCKC-UHFFFAOYSA-N
XLogP1.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 7-fluoro-3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 166824264) is 7-fluoro-3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 7-fluoro-3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 7-fluoro-3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is Cc1nnc2n1CCC2F.
What is the InChIKey of 7-fluoro-3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is VBYALKZRRTVCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3/c1-4-8-9-6-5(7)2-3-10(4)6/h5H,2-3H2,1H3.
What are the key properties of 7-fluoro-3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
7-fluoro-3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 141.15 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 166824264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).