3-cyclopropyl-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole

C8H10F3N3 — CID 50959853

IUPAC3-cyclopropyl-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole
SMILESFC(F)(F)CCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C8H10F3N3/c9-8(10,11)4-3-6-12-7(14-13-6)5-1-2-5/h5H,1-4H2,(H,12,13,14)
InChIKeyXNUAVBDMILQSDQ-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.18
Rot. Bonds3

About 3-cyclopropyl-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole

3-cyclopropyl-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole (PubChem CID 50959853) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 3-cyclopropyl-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole
PubChem CID50959853
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name3-cyclopropyl-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole
SMILESFC(F)(F)CCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C8H10F3N3/c9-8(10,11)4-3-6-12-7(14-13-6)5-1-2-5/h5H,1-4H2,(H,12,13,14)
InChIKeyXNUAVBDMILQSDQ-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole (CID 50959853) is 3-cyclopropyl-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole is FC(F)(F)CCc1nc(C2CC2)n[nH]1.
What is the InChIKey of 3-cyclopropyl-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole?
The InChIKey is XNUAVBDMILQSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c9-8(10,11)4-3-6-12-7(14-13-6)5-1-2-5/h5H,1-4H2,(H,12,13,14).
What are the key properties of 3-cyclopropyl-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole?
3-cyclopropyl-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole has a molecular weight of 205.18 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 50959853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).