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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Related Compounds

methyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate
CID 58291743
2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 67775667
1-[4-(2-fluoro-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 59326965
4-(2-amino-3-pyridinyl)benzamide
CID 121007996
2-[4-(2-fluoro-3-pyridinyl)phenyl]sulfanylpropanoic acid
CID 172718870
(Z)-3-[3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-(2-fluoro-3-pyridinyl)prop-2-enamide
CID 175436855
2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
2-(2-fluoro-3-pyridinyl)-1,3,4-thiadiazole
CID 137347251
4-(2-fluoro-3-pyridinyl)-2,3-dihydroisoindol-1-one
CID 175996445
2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione
CID 53403480
methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate
CID 107358613
3-(4-bromophenyl)-2-fluoropyridine
CID 66862736

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).