3-fluoro-4-[1-(2-methylcyclopropyl)tetrazol-5-yl]aniline

C11H12FN5 — CID 55071912

IUPAC3-fluoro-4-[1-(2-methylcyclopropyl)tetrazol-5-yl]aniline
SMILESCC1CC1n1nnnc1-c1ccc(N)cc1F
InChIInChI=1S/C11H12FN5/c1-6-4-10(6)17-11(14-15-16-17)8-3-2-7(13)5-9(8)12/h2-3,5-6,10H,4,13H2,1H3
InChIKeyODUHOHMOQDJKSZ-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.64
Rot. Bonds2

About 3-fluoro-4-[1-(2-methylcyclopropyl)tetrazol-5-yl]aniline

3-fluoro-4-[1-(2-methylcyclopropyl)tetrazol-5-yl]aniline (PubChem CID 55071912) has the molecular formula C11H12FN5 and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-fluoro-4-[1-(2-methylcyclopropyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-fluoro-4-[1-(2-methylcyclopropyl)tetrazol-5-yl]aniline
PubChem CID55071912
Molecular FormulaC11H12FN5
Molecular Weight233.25 g/mol
Exact Mass233.11
IUPAC Name3-fluoro-4-[1-(2-methylcyclopropyl)tetrazol-5-yl]aniline
SMILESCC1CC1n1nnnc1-c1ccc(N)cc1F
InChIInChI=1S/C11H12FN5/c1-6-4-10(6)17-11(14-15-16-17)8-3-2-7(13)5-9(8)12/h2-3,5-6,10H,4,13H2,1H3
InChIKeyODUHOHMOQDJKSZ-UHFFFAOYSA-N
XLogP1.64
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-(2-methylcyclopropyl)tetrazol-5-yl]aniline?
The IUPAC name of 3-fluoro-4-[1-(2-methylcyclopropyl)tetrazol-5-yl]aniline (CID 55071912) is 3-fluoro-4-[1-(2-methylcyclopropyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-fluoro-4-[1-(2-methylcyclopropyl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-fluoro-4-[1-(2-methylcyclopropyl)tetrazol-5-yl]aniline is CC1CC1n1nnnc1-c1ccc(N)cc1F.
What is the InChIKey of 3-fluoro-4-[1-(2-methylcyclopropyl)tetrazol-5-yl]aniline?
The InChIKey is ODUHOHMOQDJKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5/c1-6-4-10(6)17-11(14-15-16-17)8-3-2-7(13)5-9(8)12/h2-3,5-6,10H,4,13H2,1H3.
What are the key properties of 3-fluoro-4-[1-(2-methylcyclopropyl)tetrazol-5-yl]aniline?
3-fluoro-4-[1-(2-methylcyclopropyl)tetrazol-5-yl]aniline has a molecular weight of 233.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-(2-methylcyclopropyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 55071912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).