1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide

C8H11FN4O3 — CID 70294593

IUPAC1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn([C@H]2C[C@@](F)(CO)CO2)n1
InChIInChI=1S/C8H11FN4O3/c9-8(2-14)1-5(16-3-8)13-4-11-7(12-13)6(10)15/h4-5,14H,1-3H2,(H2,10,15)/t5-,8-/m1/s1
InChIKeyQGDRUJHFTCSVFD-SVGQVSJJSA-N
MW230.20 g/mol
LogP-1.00
Rot. Bonds3

About 1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide

1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 70294593) has the molecular formula C8H11FN4O3 and a molecular weight of 230.20 g/mol. Its IUPAC name is 1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
PubChem CID70294593
Molecular FormulaC8H11FN4O3
Molecular Weight230.20 g/mol
Exact Mass230.08
IUPAC Name1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn([C@H]2C[C@@](F)(CO)CO2)n1
InChIInChI=1S/C8H11FN4O3/c9-8(2-14)1-5(16-3-8)13-4-11-7(12-13)6(10)15/h4-5,14H,1-3H2,(H2,10,15)/t5-,8-/m1/s1
InChIKeyQGDRUJHFTCSVFD-SVGQVSJJSA-N
XLogP-1.00
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide (CID 70294593) is 1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn([C@H]2C[C@@](F)(CO)CO2)n1.
What is the InChIKey of 1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is QGDRUJHFTCSVFD-SVGQVSJJSA-N. The full InChI is InChI=1S/C8H11FN4O3/c9-8(2-14)1-5(16-3-8)13-4-11-7(12-13)6(10)15/h4-5,14H,1-3H2,(H2,10,15)/t5-,8-/m1/s1.
What are the key properties of 1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide?
1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 230.20 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 70294593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).