2-(3-fluorocyclohexyl)-1,2,4-triazol-3-amine

C8H13FN4 — CID 171774562

IUPAC2-(3-fluorocyclohexyl)-1,2,4-triazol-3-amine
SMILESNc1ncnn1C1CCCC(F)C1
InChIInChI=1S/C8H13FN4/c9-6-2-1-3-7(4-6)13-8(10)11-5-12-13/h5-7H,1-4H2,(H2,10,11,12)
InChIKeyHOSXQUDPLKACJE-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.31
Rot. Bonds1

About 2-(3-fluorocyclohexyl)-1,2,4-triazol-3-amine

2-(3-fluorocyclohexyl)-1,2,4-triazol-3-amine (PubChem CID 171774562) has the molecular formula C8H13FN4 and a molecular weight of 184.22 g/mol. Its IUPAC name is 2-(3-fluorocyclohexyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(3-fluorocyclohexyl)-1,2,4-triazol-3-amine
PubChem CID171774562
Molecular FormulaC8H13FN4
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC Name2-(3-fluorocyclohexyl)-1,2,4-triazol-3-amine
SMILESNc1ncnn1C1CCCC(F)C1
InChIInChI=1S/C8H13FN4/c9-6-2-1-3-7(4-6)13-8(10)11-5-12-13/h5-7H,1-4H2,(H2,10,11,12)
InChIKeyHOSXQUDPLKACJE-UHFFFAOYSA-N
XLogP1.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-1H-1,2,4-triazol-3-amine
CID 60911959
1-Cyclohexyl-1,2,4-triazole
CID 15260349
N-decyl-3-amino-1,2,4-triazole
CID 62222047
1-Cyclohexyl-3-fluoro-1,2,4-triazole
CID 135192549
1-(3-Fluorocyclobutyl)-1,2,4-triazol-3-amine
CID 166160365
1-(3-Fluoropropyl)-1h-1,2,4-triazol-3-amine
CID 81106089
1-(4,4,4-trifluorobutyl)-1H-1,2,4-triazol-3-amine
CID 115513881
1-(4-Fluorobutyl)-1H-1,2,4-triazol-3-amine
CID 130549455
1-(3,3-Difluorobutan-2-yl)-1,2,4-triazol-3-amine
CID 130767352
1-(4,4-Difluorobutan-2-yl)-1,2,4-triazol-3-amine
CID 130775531
1-(4,4,4-Trifluorobutan-2-yl)-1,2,4-triazol-3-amine
CID 130921244
1-(4,4-Difluorocyclohexyl)-1,2,4-triazol-3-amine
CID 130979682

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorocyclohexyl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-(3-fluorocyclohexyl)-1,2,4-triazol-3-amine (CID 171774562) is 2-(3-fluorocyclohexyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(3-fluorocyclohexyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(3-fluorocyclohexyl)-1,2,4-triazol-3-amine is Nc1ncnn1C1CCCC(F)C1.
What is the InChIKey of 2-(3-fluorocyclohexyl)-1,2,4-triazol-3-amine?
The InChIKey is HOSXQUDPLKACJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4/c9-6-2-1-3-7(4-6)13-8(10)11-5-12-13/h5-7H,1-4H2,(H2,10,11,12).
What are the key properties of 2-(3-fluorocyclohexyl)-1,2,4-triazol-3-amine?
2-(3-fluorocyclohexyl)-1,2,4-triazol-3-amine has a molecular weight of 184.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclohexyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 171774562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).