2-(3-fluoro-4-methylphenyl)tetrazol-5-amine

C8H8FN5 — CID 171371574

IUPAC2-(3-fluoro-4-methylphenyl)tetrazol-5-amine
SMILESCc1ccc(-n2nnc(N)n2)cc1F
InChIInChI=1S/C8H8FN5/c1-5-2-3-6(4-7(5)9)14-12-8(10)11-13-14/h2-4H,1H3,(H2,10,12)
InChIKeyMNCDZTLJVSYBGB-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.69
Rot. Bonds1

About 2-(3-fluoro-4-methylphenyl)tetrazol-5-amine

2-(3-fluoro-4-methylphenyl)tetrazol-5-amine (PubChem CID 171371574) has the molecular formula C8H8FN5 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)tetrazol-5-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)tetrazol-5-amine
PubChem CID171371574
Molecular FormulaC8H8FN5
Molecular Weight193.19 g/mol
Exact Mass193.08
IUPAC Name2-(3-fluoro-4-methylphenyl)tetrazol-5-amine
SMILESCc1ccc(-n2nnc(N)n2)cc1F
InChIInChI=1S/C8H8FN5/c1-5-2-3-6(4-7(5)9)14-12-8(10)11-13-14/h2-4H,1H3,(H2,10,12)
InChIKeyMNCDZTLJVSYBGB-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

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Related Compounds

1-(3-fluoro-4-methylphenyl)-5-propyltriazol-4-amine
CID 79502414
4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
CID 61377538
1-(3-fluoro-4-methylphenyl)imidazole
CID 18758587
4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline
CID 61378117
3-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
CID 61377726
[2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine
CID 82287272
4-(1-chloroethyl)-1-(3-fluoro-4-methylphenyl)triazole
CID 81444967
(1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol
CID 129393826
1-[1-(3-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]ethanone
CID 43671075
5-amino-1-(3-fluoro-4-methylphenyl)pyrazole-4-carbonitrile
CID 97036063
ethyl 1-(3-fluoro-4-methylphenyl)imidazole-4-carboxylate
CID 114203638
5-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]-2-methylpyrimidine
CID 155276389

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)tetrazol-5-amine?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)tetrazol-5-amine (CID 171371574) is 2-(3-fluoro-4-methylphenyl)tetrazol-5-amine.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)tetrazol-5-amine?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)tetrazol-5-amine is Cc1ccc(-n2nnc(N)n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)tetrazol-5-amine?
The InChIKey is MNCDZTLJVSYBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5/c1-5-2-3-6(4-7(5)9)14-12-8(10)11-13-14/h2-4H,1H3,(H2,10,12).
What are the key properties of 2-(3-fluoro-4-methylphenyl)tetrazol-5-amine?
2-(3-fluoro-4-methylphenyl)tetrazol-5-amine 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 2-(3-fluoro-4-methylphenyl)tetrazol-5-amine is sourced from PubChem (CID 171371574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).