5-[(2-fluorophenyl)-hydroxymethyl]-1H-1,2,4-triazole-3-carboxamide

C10H9FN4O2 — CID 175824928

IUPAC5-[(2-fluorophenyl)-hydroxymethyl]-1H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(C(O)c2ccccc2F)n1
InChIInChI=1S/C10H9FN4O2/c11-6-4-2-1-3-5(6)7(16)9-13-10(8(12)17)15-14-9/h1-4,7,16H,(H2,12,17)(H,13,14,15)
InChIKeyFLHLCJHKPKFPRJ-UHFFFAOYSA-N
MW236.21 g/mol
LogP0.12
Rot. Bonds3

About 5-[(2-fluorophenyl)-hydroxymethyl]-1H-1,2,4-triazole-3-carboxamide

5-[(2-fluorophenyl)-hydroxymethyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 175824928) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)-hydroxymethyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)-hydroxymethyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID175824928
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC Name5-[(2-fluorophenyl)-hydroxymethyl]-1H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(C(O)c2ccccc2F)n1
InChIInChI=1S/C10H9FN4O2/c11-6-4-2-1-3-5(6)7(16)9-13-10(8(12)17)15-14-9/h1-4,7,16H,(H2,12,17)(H,13,14,15)
InChIKeyFLHLCJHKPKFPRJ-UHFFFAOYSA-N
XLogP0.12
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)-hydroxymethyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)-hydroxymethyl]-1H-1,2,4-triazole-3-carboxamide (CID 175824928) is 5-[(2-fluorophenyl)-hydroxymethyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)-hydroxymethyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)-hydroxymethyl]-1H-1,2,4-triazole-3-carboxamide is NC(=O)c1n[nH]c(C(O)c2ccccc2F)n1.
What is the InChIKey of 5-[(2-fluorophenyl)-hydroxymethyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is FLHLCJHKPKFPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c11-6-4-2-1-3-5(6)7(16)9-13-10(8(12)17)15-14-9/h1-4,7,16H,(H2,12,17)(H,13,14,15).
What are the key properties of 5-[(2-fluorophenyl)-hydroxymethyl]-1H-1,2,4-triazole-3-carboxamide?
5-[(2-fluorophenyl)-hydroxymethyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 236.21 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)-hydroxymethyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 175824928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).