3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline

C14H12FN5 — CID 119053620

IUPAC3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
SMILESNc1cccc(-c2nnn(Cc3ccc(F)cc3)n2)c1
InChIInChI=1S/C14H12FN5/c15-12-6-4-10(5-7-12)9-20-18-14(17-19-20)11-2-1-3-13(16)8-11/h1-8H,9,16H2
InChIKeyWPZHCKIIFUGQCR-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.11
Rot. Bonds3

About 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline

3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline (PubChem CID 119053620) has the molecular formula C14H12FN5 and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
PubChem CID119053620
Molecular FormulaC14H12FN5
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC Name3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
SMILESNc1cccc(-c2nnn(Cc3ccc(F)cc3)n2)c1
InChIInChI=1S/C14H12FN5/c15-12-6-4-10(5-7-12)9-20-18-14(17-19-20)11-2-1-3-13(16)8-11/h1-8H,9,16H2
InChIKeyWPZHCKIIFUGQCR-UHFFFAOYSA-N
XLogP2.11
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 119053622
4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
CID 1463675
4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine
CID 47037035
3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine
CID 16763011
4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]benzonitrile
CID 7713290
3-bromo-5-[(5-phenyltetrazol-2-yl)methyl]aniline
CID 103350064
4-[[5-[3-[3-(4-fluorophenoxy)prop-1-ynyl]phenyl]tetrazol-2-yl]methyl]benzoic acid
CID 68979337
2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221
5-(3-ethynylphenyl)-2-[(4-methoxyphenyl)methyl]tetrazole
CID 139773547
3-(triazol-2-ylmethyl)aniline
CID 22077803
N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 55474327

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline?
The IUPAC name of 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline (CID 119053620) is 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline is Nc1cccc(-c2nnn(Cc3ccc(F)cc3)n2)c1.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline?
The InChIKey is WPZHCKIIFUGQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5/c15-12-6-4-10(5-7-12)9-20-18-14(17-19-20)11-2-1-3-13(16)8-11/h1-8H,9,16H2.
What are the key properties of 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline?
3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline has a molecular weight of 269.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 119053620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).