3-fluoro-5-(5-methyltetrazol-1-yl)aniline

C8H8FN5 — CID 107335280

IUPAC3-fluoro-5-(5-methyltetrazol-1-yl)aniline
SMILESCc1nnnn1-c1cc(N)cc(F)c1
InChIInChI=1S/C8H8FN5/c1-5-11-12-13-14(5)8-3-6(9)2-7(10)4-8/h2-4H,10H2,1H3
InChIKeyGKDZYIGBNVZLJT-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.69
Rot. Bonds1

About 3-fluoro-5-(5-methyltetrazol-1-yl)aniline

3-fluoro-5-(5-methyltetrazol-1-yl)aniline (PubChem CID 107335280) has the molecular formula C8H8FN5 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3-fluoro-5-(5-methyltetrazol-1-yl)aniline.

Molecular Properties

Compound Name3-fluoro-5-(5-methyltetrazol-1-yl)aniline
PubChem CID107335280
Molecular FormulaC8H8FN5
Molecular Weight193.19 g/mol
Exact Mass193.08
IUPAC Name3-fluoro-5-(5-methyltetrazol-1-yl)aniline
SMILESCc1nnnn1-c1cc(N)cc(F)c1
InChIInChI=1S/C8H8FN5/c1-5-11-12-13-14(5)8-3-6(9)2-7(10)4-8/h2-4H,10H2,1H3
InChIKeyGKDZYIGBNVZLJT-UHFFFAOYSA-N
XLogP0.69
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-5-fluorophenyl)-4-methyltetrazol-5-one
CID 58287205
1-(3,5-difluorophenyl)tetrazol-5-amine
CID 79505913
3-[1-(3-fluoro-5-methylphenyl)tetrazol-5-yl]-4-methylaniline
CID 79047538
5-(chloromethyl)-1-(3-fluoro-5-methylphenyl)tetrazole
CID 79049286
3-methyl-4-(5-methyltetrazol-1-yl)aniline
CID 3186687
3-fluoro-5-[1-(3-methylpentan-3-yl)tetrazol-5-yl]aniline
CID 106330339
3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline
CID 107370317
4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107370344
3-fluoro-5-(4-methylpyrazol-1-yl)aniline
CID 80751942
ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole
CID 144718344
3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-5-fluoroaniline
CID 107616322
4-bromo-3-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline
CID 107370345

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(5-methyltetrazol-1-yl)aniline?
The IUPAC name of 3-fluoro-5-(5-methyltetrazol-1-yl)aniline (CID 107335280) is 3-fluoro-5-(5-methyltetrazol-1-yl)aniline.
What is the SMILES notation for 3-fluoro-5-(5-methyltetrazol-1-yl)aniline?
The canonical SMILES for 3-fluoro-5-(5-methyltetrazol-1-yl)aniline is Cc1nnnn1-c1cc(N)cc(F)c1.
What is the InChIKey of 3-fluoro-5-(5-methyltetrazol-1-yl)aniline?
The InChIKey is GKDZYIGBNVZLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5/c1-5-11-12-13-14(5)8-3-6(9)2-7(10)4-8/h2-4H,10H2,1H3.
What are the key properties of 3-fluoro-5-(5-methyltetrazol-1-yl)aniline?
3-fluoro-5-(5-methyltetrazol-1-yl)aniline has a molecular weight of 193.19 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(5-methyltetrazol-1-yl)aniline is sourced from PubChem (CID 107335280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).