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

C4H7FN4 — CID 80698012

IUPAC1-(2-fluoroethyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(CCF)n1
InChIInChI=1S/C4H7FN4/c5-1-2-9-3-7-4(6)8-9/h3H,1-2H2,(H2,6,8)
InChIKeyOLNDCNLDCAXHEM-UHFFFAOYSA-N
MW130.13 g/mol
LogP-0.17
Rot. Bonds2

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

1-(2-fluoroethyl)-1,2,4-triazol-3-amine (PubChem CID 80698012) has the molecular formula C4H7FN4 and a molecular weight of 130.13 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-1,2,4-triazol-3-amine
PubChem CID80698012
Molecular FormulaC4H7FN4
Molecular Weight130.13 g/mol
Exact Mass130.07
IUPAC Name1-(2-fluoroethyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(CCF)n1
InChIInChI=1S/C4H7FN4/c5-1-2-9-3-7-4(6)8-9/h3H,1-2H2,(H2,6,8)
InChIKeyOLNDCNLDCAXHEM-UHFFFAOYSA-N
XLogP-0.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.13
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(2-fluoroethyl)-1,2,4-triazol-3-amine (CID 80698012) is 1-(2-fluoroethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(2-fluoroethyl)-1,2,4-triazol-3-amine is Nc1ncn(CCF)n1.
What is the InChIKey of 1-(2-fluoroethyl)-1,2,4-triazol-3-amine?
The InChIKey is OLNDCNLDCAXHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN4/c5-1-2-9-3-7-4(6)8-9/h3H,1-2H2,(H2,6,8).
What are the key properties of 1-(2-fluoroethyl)-1,2,4-triazol-3-amine?
1-(2-fluoroethyl)-1,2,4-triazol-3-amine has a molecular weight of 130.13 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 80698012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).