5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine

C8H13FN4 — CID 166140708

IUPAC5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCCC(F)C2)n1
InChIInChI=1S/C8H13FN4/c9-6-3-1-2-5(4-6)7-11-8(10)13-12-7/h5-6H,1-4H2,(H3,10,11,12,13)
InChIKeyLMURKIXCWJPQPB-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.38
Rot. Bonds1

About 5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine

5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine (PubChem CID 166140708) has the molecular formula C8H13FN4 and a molecular weight of 184.22 g/mol. Its IUPAC name is 5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine
PubChem CID166140708
Molecular FormulaC8H13FN4
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC Name5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCCC(F)C2)n1
InChIInChI=1S/C8H13FN4/c9-6-3-1-2-5(4-6)7-11-8(10)13-12-7/h5-6H,1-4H2,(H3,10,11,12,13)
InChIKeyLMURKIXCWJPQPB-UHFFFAOYSA-N
XLogP1.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine (CID 166140708) is 5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(C2CCCC(F)C2)n1.
What is the InChIKey of 5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is LMURKIXCWJPQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4/c9-6-3-1-2-5(4-6)7-11-8(10)13-12-7/h5-6H,1-4H2,(H3,10,11,12,13).
What are the key properties of 5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine?
5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 184.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 166140708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).