1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide

C7H9FN4O — CID 130616396

IUPAC1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ncn[nH]1)C1(F)CCC1
InChIInChI=1S/C7H9FN4O/c8-7(2-1-3-7)5(13)11-6-9-4-10-12-6/h4H,1-3H2,(H2,9,10,11,12,13)
InChIKeyVTWSAHGLXOXNLZ-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.64
Rot. Bonds2

About 1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide

1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide (PubChem CID 130616396) has the molecular formula C7H9FN4O and a molecular weight of 184.17 g/mol. Its IUPAC name is 1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide
PubChem CID130616396
Molecular FormulaC7H9FN4O
Molecular Weight184.17 g/mol
Exact Mass184.08
IUPAC Name1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ncn[nH]1)C1(F)CCC1
InChIInChI=1S/C7H9FN4O/c8-7(2-1-3-7)5(13)11-6-9-4-10-12-6/h4H,1-3H2,(H2,9,10,11,12,13)
InChIKeyVTWSAHGLXOXNLZ-UHFFFAOYSA-N
XLogP0.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide (CID 130616396) is 1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide is O=C(Nc1ncn[nH]1)C1(F)CCC1.
What is the InChIKey of 1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide?
The InChIKey is VTWSAHGLXOXNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN4O/c8-7(2-1-3-7)5(13)11-6-9-4-10-12-6/h4H,1-3H2,(H2,9,10,11,12,13).
What are the key properties of 1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide?
1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide has a molecular weight of 184.17 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 130616396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).