2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline

C11H12FN5 — CID 61351666

IUPAC2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline
SMILESNc1ccc(F)cc1-c1nnnn1CC1CC1
InChIInChI=1S/C11H12FN5/c12-8-3-4-10(13)9(5-8)11-14-15-16-17(11)6-7-1-2-7/h3-5,7H,1-2,6,13H2
InChIKeyARKLMHLKAUBLKJ-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.47
Rot. Bonds3

About 2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline

2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline (PubChem CID 61351666) has the molecular formula C11H12FN5 and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline
PubChem CID61351666
Molecular FormulaC11H12FN5
Molecular Weight233.25 g/mol
Exact Mass233.11
IUPAC Name2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline
SMILESNc1ccc(F)cc1-c1nnnn1CC1CC1
InChIInChI=1S/C11H12FN5/c12-8-3-4-10(13)9(5-8)11-14-15-16-17(11)6-7-1-2-7/h3-5,7H,1-2,6,13H2
InChIKeyARKLMHLKAUBLKJ-UHFFFAOYSA-N
XLogP1.47
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline?
The IUPAC name of 2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline (CID 61351666) is 2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline?
The canonical SMILES for 2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline is Nc1ccc(F)cc1-c1nnnn1CC1CC1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline?
The InChIKey is ARKLMHLKAUBLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5/c12-8-3-4-10(13)9(5-8)11-14-15-16-17(11)6-7-1-2-7/h3-5,7H,1-2,6,13H2.
What are the key properties of 2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline?
2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline has a molecular weight of 233.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline is sourced from PubChem (CID 61351666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).