2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine

C12H17N5O3 — CID 83558388

IUPAC2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine
SMILESCOc1cc(-c2nnnn2CCN)cc(OC)c1OC
InChIInChI=1S/C12H17N5O3/c1-18-9-6-8(7-10(19-2)11(9)20-3)12-14-15-16-17(12)5-4-13/h6-7H,4-5,13H2,1-3H3
InChIKeyXSUSJWDXFQWDIT-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.32
Rot. Bonds6

About 2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine

2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine (PubChem CID 83558388) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine
PubChem CID83558388
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine
SMILESCOc1cc(-c2nnnn2CCN)cc(OC)c1OC
InChIInChI=1S/C12H17N5O3/c1-18-9-6-8(7-10(19-2)11(9)20-3)12-14-15-16-17(12)5-4-13/h6-7H,4-5,13H2,1-3H3
InChIKeyXSUSJWDXFQWDIT-UHFFFAOYSA-N
XLogP0.32
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-(3,4-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84758956
2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine
CID 61375782
4-[5-(3,5-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84759011
4-(1-ethyltetrazol-5-yl)-2-methoxyaniline
CID 104784473
2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine
CID 61375590
1-methyl-5-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]tetrazole
CID 59430243
2-methoxy-4-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline
CID 104784464
2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]propanoic acid
CID 54345783
2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 9421161
2-methoxy-5-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]aniline
CID 63227108
2-[4-(aminomethyl)-5-(3,4,5-trimethoxyphenyl)triazol-1-yl]ethanol
CID 94945382
3-(1-butyltetrazol-5-yl)-5-methoxyaniline
CID 81091803

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine (CID 83558388) is 2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine is COc1cc(-c2nnnn2CCN)cc(OC)c1OC.
What is the InChIKey of 2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine?
The InChIKey is XSUSJWDXFQWDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-18-9-6-8(7-10(19-2)11(9)20-3)12-14-15-16-17(12)5-4-13/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine?
2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine has a molecular weight of 279.30 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine is sourced from PubChem (CID 83558388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).