3-(1-fluorocyclopropyl)-5-methyl-1H-1,2,4-triazole

C6H8FN3 — CID 146511983

IUPAC3-(1-fluorocyclopropyl)-5-methyl-1H-1,2,4-triazole
SMILESCc1nc(C2(F)CC2)n[nH]1
InChIInChI=1S/C6H8FN3/c1-4-8-5(10-9-4)6(7)2-3-6/h2-3H2,1H3,(H,8,9,10)
InChIKeyJWGPSICASGEDII-UHFFFAOYSA-N
MW141.15 g/mol
LogP1.07
Rot. Bonds1

About 3-(1-fluorocyclopropyl)-5-methyl-1H-1,2,4-triazole

3-(1-fluorocyclopropyl)-5-methyl-1H-1,2,4-triazole (PubChem CID 146511983) has the molecular formula C6H8FN3 and a molecular weight of 141.15 g/mol. Its IUPAC name is 3-(1-fluorocyclopropyl)-5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(1-fluorocyclopropyl)-5-methyl-1H-1,2,4-triazole
PubChem CID146511983
Molecular FormulaC6H8FN3
Molecular Weight141.15 g/mol
Exact Mass141.07
IUPAC Name3-(1-fluorocyclopropyl)-5-methyl-1H-1,2,4-triazole
SMILESCc1nc(C2(F)CC2)n[nH]1
InChIInChI=1S/C6H8FN3/c1-4-8-5(10-9-4)6(7)2-3-6/h2-3H2,1H3,(H,8,9,10)
InChIKeyJWGPSICASGEDII-UHFFFAOYSA-N
XLogP1.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluorocyclopropyl)-5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3-(1-fluorocyclopropyl)-5-methyl-1H-1,2,4-triazole (CID 146511983) is 3-(1-fluorocyclopropyl)-5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(1-fluorocyclopropyl)-5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(1-fluorocyclopropyl)-5-methyl-1H-1,2,4-triazole is Cc1nc(C2(F)CC2)n[nH]1.
What is the InChIKey of 3-(1-fluorocyclopropyl)-5-methyl-1H-1,2,4-triazole?
The InChIKey is JWGPSICASGEDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3/c1-4-8-5(10-9-4)6(7)2-3-6/h2-3H2,1H3,(H,8,9,10).
What are the key properties of 3-(1-fluorocyclopropyl)-5-methyl-1H-1,2,4-triazole?
3-(1-fluorocyclopropyl)-5-methyl-1H-1,2,4-triazole has a molecular weight of 141.15 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluorocyclopropyl)-5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 146511983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).