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

C8H12FN3 — CID 146512182

IUPAC1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole
SMILESCCn1nc(C)nc1C1(F)CC1
InChIInChI=1S/C8H12FN3/c1-3-12-7(8(9)4-5-8)10-6(2)11-12/h3-5H2,1-2H3
InChIKeyYRPVIVCQWGHWBB-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.57
Rot. Bonds2

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

1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole (PubChem CID 146512182) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is 1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole
PubChem CID146512182
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole
SMILESCCn1nc(C)nc1C1(F)CC1
InChIInChI=1S/C8H12FN3/c1-3-12-7(8(9)4-5-8)10-6(2)11-12/h3-5H2,1-2H3
InChIKeyYRPVIVCQWGHWBB-UHFFFAOYSA-N
XLogP1.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole?
The IUPAC name of 1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole (CID 146512182) is 1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole?
The canonical SMILES for 1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole is CCn1nc(C)nc1C1(F)CC1.
What is the InChIKey of 1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole?
The InChIKey is YRPVIVCQWGHWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c1-3-12-7(8(9)4-5-8)10-6(2)11-12/h3-5H2,1-2H3.
What are the key properties of 1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole?
1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole has a molecular weight of 169.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole is sourced from PubChem (CID 146512182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).