5-fluoro-N-methyl-2H-triazole-4-carboxamide

C4H5FN4O — CID 146299706

IUPAC5-fluoro-N-methyl-2H-triazole-4-carboxamide
SMILESCNC(=O)c1n[nH]nc1F
InChIInChI=1S/C4H5FN4O/c1-6-4(10)2-3(5)8-9-7-2/h1H3,(H,6,10)(H,7,8,9)
InChIKeyLVLRJZGCJPCXKY-UHFFFAOYSA-N
MW144.11 g/mol
LogP-0.70
Rot. Bonds1

About 5-fluoro-N-methyl-2H-triazole-4-carboxamide

5-fluoro-N-methyl-2H-triazole-4-carboxamide (PubChem CID 146299706) has the molecular formula C4H5FN4O and a molecular weight of 144.11 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-2H-triazole-4-carboxamide
PubChem CID146299706
Molecular FormulaC4H5FN4O
Molecular Weight144.11 g/mol
Exact Mass144.04
IUPAC Name5-fluoro-N-methyl-2H-triazole-4-carboxamide
SMILESCNC(=O)c1n[nH]nc1F
InChIInChI=1S/C4H5FN4O/c1-6-4(10)2-3(5)8-9-7-2/h1H3,(H,6,10)(H,7,8,9)
InChIKeyLVLRJZGCJPCXKY-UHFFFAOYSA-N
XLogP-0.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.11
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-2H-triazole-4-carboxamide?
The IUPAC name of 5-fluoro-N-methyl-2H-triazole-4-carboxamide (CID 146299706) is 5-fluoro-N-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-N-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for 5-fluoro-N-methyl-2H-triazole-4-carboxamide is CNC(=O)c1n[nH]nc1F.
What is the InChIKey of 5-fluoro-N-methyl-2H-triazole-4-carboxamide?
The InChIKey is LVLRJZGCJPCXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN4O/c1-6-4(10)2-3(5)8-9-7-2/h1H3,(H,6,10)(H,7,8,9).
What are the key properties of 5-fluoro-N-methyl-2H-triazole-4-carboxamide?
5-fluoro-N-methyl-2H-triazole-4-carboxamide has a molecular weight of 144.11 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 146299706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).