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

C6H9FN4 — CID 166160365

IUPAC1-(3-fluorocyclobutyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(C2CC(F)C2)n1
InChIInChI=1S/C6H9FN4/c7-4-1-5(2-4)11-3-9-6(8)10-11/h3-5H,1-2H2,(H2,8,10)
InChIKeyTUOUMSUWWJNMIM-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.53
Rot. Bonds1

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

1-(3-fluorocyclobutyl)-1,2,4-triazol-3-amine (PubChem CID 166160365) has the molecular formula C6H9FN4 and a molecular weight of 156.16 g/mol. Its IUPAC name is 1-(3-fluorocyclobutyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(3-fluorocyclobutyl)-1,2,4-triazol-3-amine
PubChem CID166160365
Molecular FormulaC6H9FN4
Molecular Weight156.16 g/mol
Exact Mass156.08
IUPAC Name1-(3-fluorocyclobutyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(C2CC(F)C2)n1
InChIInChI=1S/C6H9FN4/c7-4-1-5(2-4)11-3-9-6(8)10-11/h3-5H,1-2H2,(H2,8,10)
InChIKeyTUOUMSUWWJNMIM-UHFFFAOYSA-N
XLogP0.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorocyclobutyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(3-fluorocyclobutyl)-1,2,4-triazol-3-amine (CID 166160365) is 1-(3-fluorocyclobutyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(3-fluorocyclobutyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(3-fluorocyclobutyl)-1,2,4-triazol-3-amine is Nc1ncn(C2CC(F)C2)n1.
What is the InChIKey of 1-(3-fluorocyclobutyl)-1,2,4-triazol-3-amine?
The InChIKey is TUOUMSUWWJNMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4/c7-4-1-5(2-4)11-3-9-6(8)10-11/h3-5H,1-2H2,(H2,8,10).
What are the key properties of 1-(3-fluorocyclobutyl)-1,2,4-triazol-3-amine?
1-(3-fluorocyclobutyl)-1,2,4-triazol-3-amine has a molecular weight of 156.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorocyclobutyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 166160365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).