1-cyclohexyl-3-fluoro-1,2,4-triazole

C8H12FN3 — CID 135192549

IUPAC1-cyclohexyl-3-fluoro-1,2,4-triazole
SMILESFc1ncn(C2CCCCC2)n1
InChIInChI=1S/C8H12FN3/c9-8-10-6-12(11-8)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyCYBGTDIIVPMKIX-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.92
Rot. Bonds1

About 1-cyclohexyl-3-fluoro-1,2,4-triazole

1-cyclohexyl-3-fluoro-1,2,4-triazole (PubChem CID 135192549) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is 1-cyclohexyl-3-fluoro-1,2,4-triazole.

Molecular Properties

Compound Name1-cyclohexyl-3-fluoro-1,2,4-triazole
PubChem CID135192549
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name1-cyclohexyl-3-fluoro-1,2,4-triazole
SMILESFc1ncn(C2CCCCC2)n1
InChIInChI=1S/C8H12FN3/c9-8-10-6-12(11-8)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyCYBGTDIIVPMKIX-UHFFFAOYSA-N
XLogP1.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-pentyl-1H-1,2,4-triazole
CID 14267422
4-Methyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,2,4-triazol-4-ium
CID 156600042
4-Butyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,2,4-triazol-4-ium
CID 156600059
1-Hexyl-1,2,4-triazole
CID 12591947
1-cyclohexyl-1H-1,2,4-triazol-3-amine
CID 60911959
1-Cyclohexyltetrazole
CID 11263601
1-Cyclohexyl-1,2,4-triazole
CID 15260349
1-(3-Fluoropropyl)-1,2,4-triazole
CID 22165690
1-(4-Fluorobutyl)-1,2,4-triazole
CID 53921769
1-(1,1,1-Trifluoropentan-2-yl)-1,2,4-triazole
CID 89114464
5-Fluoro-1-propan-2-yl-1,2,4-triazole
CID 105427410
1-Butyl-5-fluoro-1,2,4-triazole
CID 123392640

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-fluoro-1,2,4-triazole?
The IUPAC name of 1-cyclohexyl-3-fluoro-1,2,4-triazole (CID 135192549) is 1-cyclohexyl-3-fluoro-1,2,4-triazole.
What is the SMILES notation for 1-cyclohexyl-3-fluoro-1,2,4-triazole?
The canonical SMILES for 1-cyclohexyl-3-fluoro-1,2,4-triazole is Fc1ncn(C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-fluoro-1,2,4-triazole?
The InChIKey is CYBGTDIIVPMKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c9-8-10-6-12(11-8)7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of 1-cyclohexyl-3-fluoro-1,2,4-triazole?
1-cyclohexyl-3-fluoro-1,2,4-triazole has a molecular weight of 169.20 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-fluoro-1,2,4-triazole is sourced from PubChem (CID 135192549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).