2-[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]acetonitrile

C10H7FN4 — CID 22380285

IUPAC2-[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]acetonitrile
SMILESN#CCc1ncnn1-c1cccc(F)c1
InChIInChI=1S/C10H7FN4/c11-8-2-1-3-9(6-8)15-10(4-5-12)13-7-14-15/h1-3,6-7H,4H2
InChIKeyLKFTZYMPTBPIGO-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.47
Rot. Bonds2

About 2-[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]acetonitrile

2-[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]acetonitrile (PubChem CID 22380285) has the molecular formula C10H7FN4 and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]acetonitrile
PubChem CID22380285
Molecular FormulaC10H7FN4
Molecular Weight202.19 g/mol
Exact Mass202.07
IUPAC Name2-[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]acetonitrile
SMILESN#CCc1ncnn1-c1cccc(F)c1
InChIInChI=1S/C10H7FN4/c11-8-2-1-3-9(6-8)15-10(4-5-12)13-7-14-15/h1-3,6-7H,4H2
InChIKeyLKFTZYMPTBPIGO-UHFFFAOYSA-N
XLogP1.47
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]acetonitrile?
The IUPAC name of 2-[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]acetonitrile (CID 22380285) is 2-[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]acetonitrile?
The canonical SMILES for 2-[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]acetonitrile is N#CCc1ncnn1-c1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]acetonitrile?
The InChIKey is LKFTZYMPTBPIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4/c11-8-2-1-3-9(6-8)15-10(4-5-12)13-7-14-15/h1-3,6-7H,4H2.
What are the key properties of 2-[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]acetonitrile?
2-[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]acetonitrile has a molecular weight of 202.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]acetonitrile is sourced from PubChem (CID 22380285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).