1-fluorotriazole-4-carboxamide

C3H3FN4O — CID 89131273

IUPAC1-fluorotriazole-4-carboxamide
SMILESNC(=O)c1cn(F)nn1
InChIInChI=1S/C3H3FN4O/c4-8-1-2(3(5)9)6-7-8/h1H,(H2,5,9)
InChIKeyNRSPQXDCQQCOLS-UHFFFAOYSA-N
MW130.08 g/mol
LogP-0.89
Rot. Bonds1

About 1-fluorotriazole-4-carboxamide

1-fluorotriazole-4-carboxamide (PubChem CID 89131273) has the molecular formula C3H3FN4O and a molecular weight of 130.08 g/mol. Its IUPAC name is 1-fluorotriazole-4-carboxamide.

Molecular Properties

Compound Name1-fluorotriazole-4-carboxamide
PubChem CID89131273
Molecular FormulaC3H3FN4O
Molecular Weight130.08 g/mol
Exact Mass130.03
IUPAC Name1-fluorotriazole-4-carboxamide
SMILESNC(=O)c1cn(F)nn1
InChIInChI=1S/C3H3FN4O/c4-8-1-2(3(5)9)6-7-8/h1H,(H2,5,9)
InChIKeyNRSPQXDCQQCOLS-UHFFFAOYSA-N
XLogP-0.89
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.08
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluorotriazole-4-carboxamide?
The IUPAC name of 1-fluorotriazole-4-carboxamide (CID 89131273) is 1-fluorotriazole-4-carboxamide.
What is the SMILES notation for 1-fluorotriazole-4-carboxamide?
The canonical SMILES for 1-fluorotriazole-4-carboxamide is NC(=O)c1cn(F)nn1.
What is the InChIKey of 1-fluorotriazole-4-carboxamide?
The InChIKey is NRSPQXDCQQCOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FN4O/c4-8-1-2(3(5)9)6-7-8/h1H,(H2,5,9).
What are the key properties of 1-fluorotriazole-4-carboxamide?
1-fluorotriazole-4-carboxamide has a molecular weight of 130.08 g/mol, XLogP of -0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorotriazole-4-carboxamide is sourced from PubChem (CID 89131273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).