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

C7H6FN5 — CID 169499714

IUPAC5-(3-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ncccc2F)n1
InChIInChI=1S/C7H6FN5/c8-4-2-1-3-10-5(4)6-11-7(9)13-12-6/h1-3H,(H3,9,11,12,13)
InChIKeyLDENGPQUZXUPQD-UHFFFAOYSA-N
MW179.16 g/mol
LogP0.59
Rot. Bonds1

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

5-(3-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-amine (PubChem CID 169499714) has the molecular formula C7H6FN5 and a molecular weight of 179.16 g/mol. Its IUPAC name is 5-(3-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-amine
PubChem CID169499714
Molecular FormulaC7H6FN5
Molecular Weight179.16 g/mol
Exact Mass179.06
IUPAC Name5-(3-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ncccc2F)n1
InChIInChI=1S/C7H6FN5/c8-4-2-1-3-10-5(4)6-11-7(9)13-12-6/h1-3H,(H3,9,11,12,13)
InChIKeyLDENGPQUZXUPQD-UHFFFAOYSA-N
XLogP0.59
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-amine (CID 169499714) is 5-(3-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2ncccc2F)n1.
What is the InChIKey of 5-(3-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is LDENGPQUZXUPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN5/c8-4-2-1-3-10-5(4)6-11-7(9)13-12-6/h1-3H,(H3,9,11,12,13).
What are the key properties of 5-(3-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-amine?
5-(3-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 179.16 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 169499714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).