5-fluoro-3-propyltriazole-4-carbonitrile

C6H7FN4 — CID 69381968

IUPAC5-fluoro-3-propyltriazole-4-carbonitrile
SMILESCCCn1nnc(F)c1C#N
InChIInChI=1S/C6H7FN4/c1-2-3-11-5(4-8)6(7)9-10-11/h2-3H2,1H3
InChIKeyVNTZEZUVJIJIQD-UHFFFAOYSA-N
MW154.15 g/mol
LogP0.70
Rot. Bonds2

About 5-fluoro-3-propyltriazole-4-carbonitrile

5-fluoro-3-propyltriazole-4-carbonitrile (PubChem CID 69381968) has the molecular formula C6H7FN4 and a molecular weight of 154.15 g/mol. Its IUPAC name is 5-fluoro-3-propyltriazole-4-carbonitrile.

Molecular Properties

Compound Name5-fluoro-3-propyltriazole-4-carbonitrile
PubChem CID69381968
Molecular FormulaC6H7FN4
Molecular Weight154.15 g/mol
Exact Mass154.07
IUPAC Name5-fluoro-3-propyltriazole-4-carbonitrile
SMILESCCCn1nnc(F)c1C#N
InChIInChI=1S/C6H7FN4/c1-2-3-11-5(4-8)6(7)9-10-11/h2-3H2,1H3
InChIKeyVNTZEZUVJIJIQD-UHFFFAOYSA-N
XLogP0.70
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.15
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-propyltriazole-4-carbonitrile?
The IUPAC name of 5-fluoro-3-propyltriazole-4-carbonitrile (CID 69381968) is 5-fluoro-3-propyltriazole-4-carbonitrile.
What is the SMILES notation for 5-fluoro-3-propyltriazole-4-carbonitrile?
The canonical SMILES for 5-fluoro-3-propyltriazole-4-carbonitrile is CCCn1nnc(F)c1C#N.
What is the InChIKey of 5-fluoro-3-propyltriazole-4-carbonitrile?
The InChIKey is VNTZEZUVJIJIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN4/c1-2-3-11-5(4-8)6(7)9-10-11/h2-3H2,1H3.
What are the key properties of 5-fluoro-3-propyltriazole-4-carbonitrile?
5-fluoro-3-propyltriazole-4-carbonitrile has a molecular weight of 154.15 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-propyltriazole-4-carbonitrile is sourced from PubChem (CID 69381968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).