3-(2-fluoro-3-pyridinyl)-1,2,4-triazole-1-carboxamide

C8H6FN5O — CID 67954648

IUPAC3-(2-fluoro-3-pyridinyl)-1,2,4-triazole-1-carboxamide
SMILESNC(=O)n1cnc(-c2cccnc2F)n1
InChIInChI=1S/C8H6FN5O/c9-6-5(2-1-3-11-6)7-12-4-14(13-7)8(10)15/h1-4H,(H2,10,15)
InChIKeySFRDPAUJEHTIQZ-UHFFFAOYSA-N
MW207.17 g/mol
LogP0.41
Rot. Bonds1

About 3-(2-fluoro-3-pyridinyl)-1,2,4-triazole-1-carboxamide

3-(2-fluoro-3-pyridinyl)-1,2,4-triazole-1-carboxamide (PubChem CID 67954648) has the molecular formula C8H6FN5O and a molecular weight of 207.17 g/mol. Its IUPAC name is 3-(2-fluoro-3-pyridinyl)-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-3-pyridinyl)-1,2,4-triazole-1-carboxamide
PubChem CID67954648
Molecular FormulaC8H6FN5O
Molecular Weight207.17 g/mol
Exact Mass207.06
IUPAC Name3-(2-fluoro-3-pyridinyl)-1,2,4-triazole-1-carboxamide
SMILESNC(=O)n1cnc(-c2cccnc2F)n1
InChIInChI=1S/C8H6FN5O/c9-6-5(2-1-3-11-6)7-12-4-14(13-7)8(10)15/h1-4H,(H2,10,15)
InChIKeySFRDPAUJEHTIQZ-UHFFFAOYSA-N
XLogP0.41
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-pyridinyl)-1,2,4-triazole-1-carboxamide?
The IUPAC name of 3-(2-fluoro-3-pyridinyl)-1,2,4-triazole-1-carboxamide (CID 67954648) is 3-(2-fluoro-3-pyridinyl)-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 3-(2-fluoro-3-pyridinyl)-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 3-(2-fluoro-3-pyridinyl)-1,2,4-triazole-1-carboxamide is NC(=O)n1cnc(-c2cccnc2F)n1.
What is the InChIKey of 3-(2-fluoro-3-pyridinyl)-1,2,4-triazole-1-carboxamide?
The InChIKey is SFRDPAUJEHTIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN5O/c9-6-5(2-1-3-11-6)7-12-4-14(13-7)8(10)15/h1-4H,(H2,10,15).
What are the key properties of 3-(2-fluoro-3-pyridinyl)-1,2,4-triazole-1-carboxamide?
3-(2-fluoro-3-pyridinyl)-1,2,4-triazole-1-carboxamide has a molecular weight of 207.17 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-pyridinyl)-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 67954648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).