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

C10H13N5 — CID 61375782

IUPAC2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine
SMILESCc1ccc(-c2nnnn2CCN)cc1
InChIInChI=1S/C10H13N5/c1-8-2-4-9(5-3-8)10-12-13-14-15(10)7-6-11/h2-5H,6-7,11H2,1H3
InChIKeyTXLCRYXBYHGDJB-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.61
Rot. Bonds3

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

2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine (PubChem CID 61375782) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine
PubChem CID61375782
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine
SMILESCc1ccc(-c2nnnn2CCN)cc1
InChIInChI=1S/C10H13N5/c1-8-2-4-9(5-3-8)10-12-13-14-15(10)7-6-11/h2-5H,6-7,11H2,1H3
InChIKeyTXLCRYXBYHGDJB-UHFFFAOYSA-N
XLogP0.61
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 61375593
2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine
CID 61375590
3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine
CID 84758929
3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine
CID 61374258
[4-(1-butyltetrazol-5-yl)phenyl]methanamine
CID 82228437
4-[5-(4-ethylsulfanylphenyl)tetrazol-1-yl]butan-1-amine
CID 106387360
4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine
CID 84758971
6-[5-(4-methylphenyl)tetrazol-1-yl]hexanoic acid
CID 82226289
2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine
CID 83558388
5-(4-methylphenyl)tetrazol-1-amine
CID 131861242
4-[5-(3,4-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84758956
2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine
CID 107935487

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine (CID 61375782) is 2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine is Cc1ccc(-c2nnnn2CCN)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine?
The InChIKey is TXLCRYXBYHGDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-8-2-4-9(5-3-8)10-12-13-14-15(10)7-6-11/h2-5H,6-7,11H2,1H3.
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine?
2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine has a molecular weight of 203.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine is sourced from PubChem (CID 61375782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).