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

C8H11FN4O3 — CID 54226399

IUPAC1-[(2S,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+/m0/s1
InChIKeyQGDRUJHFTCSVFD-YLWLKBPMSA-N
MW230.20 g/mol
LogP-1.00
Rot. Bonds3

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

1-[(2S,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 54226399) has the molecular formula C8H11FN4O3 and a molecular weight of 230.20 g/mol. Its IUPAC name is 1-[(2S,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2S,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
PubChem CID54226399
Molecular FormulaC8H11FN4O3
Molecular Weight230.20 g/mol
Exact Mass230.08
IUPAC Name1-[(2S,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+/m0/s1
InChIKeyQGDRUJHFTCSVFD-YLWLKBPMSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(2S,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide (CID 54226399) is 1-[(2S,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(2S,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(2S,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-[(2S,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is QGDRUJHFTCSVFD-YLWLKBPMSA-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+/m0/s1.
What are the key properties of 1-[(2S,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide?
1-[(2S,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-[(2S,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 54226399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).