[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methanamine

C9H10FN5 — CID 62736460

IUPAC[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methanamine
SMILESCc1ccc(-n2nnnc2CN)c(F)c1
InChIInChI=1S/C9H10FN5/c1-6-2-3-8(7(10)4-6)15-9(5-11)12-13-14-15/h2-4H,5,11H2,1H3
InChIKeyWWFHMGSYGBRTED-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.57
Rot. Bonds2

About [1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methanamine

[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methanamine (PubChem CID 62736460) has the molecular formula C9H10FN5 and a molecular weight of 207.21 g/mol. Its IUPAC name is [1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methanamine
PubChem CID62736460
Molecular FormulaC9H10FN5
Molecular Weight207.21 g/mol
Exact Mass207.09
IUPAC Name[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methanamine
SMILESCc1ccc(-n2nnnc2CN)c(F)c1
InChIInChI=1S/C9H10FN5/c1-6-2-3-8(7(10)4-6)15-9(5-11)12-13-14-15/h2-4H,5,11H2,1H3
InChIKeyWWFHMGSYGBRTED-UHFFFAOYSA-N
XLogP0.57
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methanamine (CID 62736460) is [1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methanamine is Cc1ccc(-n2nnnc2CN)c(F)c1.
What is the InChIKey of [1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methanamine?
The InChIKey is WWFHMGSYGBRTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5/c1-6-2-3-8(7(10)4-6)15-9(5-11)12-13-14-15/h2-4H,5,11H2,1H3.
What are the key properties of [1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methanamine?
[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methanamine has a molecular weight of 207.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 62736460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).