N-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide

C8H6FN5O — CID 16663197

IUPACN-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cn[nH]n1
InChIInChI=1S/C8H6FN5O/c9-5-1-2-7(10-3-5)12-8(15)6-4-11-14-13-6/h1-4H,(H,10,12,15)(H,11,13,14)
InChIKeyUYHNPGUNOVSWSE-UHFFFAOYSA-N
MW207.17 g/mol
LogP0.59
Rot. Bonds2

About N-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide

N-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide (PubChem CID 16663197) has the molecular formula C8H6FN5O and a molecular weight of 207.17 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide
PubChem CID16663197
Molecular FormulaC8H6FN5O
Molecular Weight207.17 g/mol
Exact Mass207.06
IUPAC NameN-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cn[nH]n1
InChIInChI=1S/C8H6FN5O/c9-5-1-2-7(10-3-5)12-8(15)6-4-11-14-13-6/h1-4H,(H,10,12,15)(H,11,13,14)
InChIKeyUYHNPGUNOVSWSE-UHFFFAOYSA-N
XLogP0.59
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide (CID 16663197) is N-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide is O=C(Nc1ccc(F)cn1)c1cn[nH]n1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide?
The InChIKey is UYHNPGUNOVSWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN5O/c9-5-1-2-7(10-3-5)12-8(15)6-4-11-14-13-6/h1-4H,(H,10,12,15)(H,11,13,14).
What are the key properties of N-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide?
N-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide has a molecular weight of 207.17 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 16663197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).