1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine

C11H15N5O2 — CID 62736102

IUPAC1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1-c1cc(OC)cc(OC)c1
InChIInChI=1S/C11H15N5O2/c1-12-7-11-13-14-15-16(11)8-4-9(17-2)6-10(5-8)18-3/h4-6,12H,7H2,1-3H3
InChIKeyZRKMCZJXOZIFEL-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.40
Rot. Bonds5

About 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine

1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine (PubChem CID 62736102) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
PubChem CID62736102
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1-c1cc(OC)cc(OC)c1
InChIInChI=1S/C11H15N5O2/c1-12-7-11-13-14-15-16(11)8-4-9(17-2)6-10(5-8)18-3/h4-6,12H,7H2,1-3H3
InChIKeyZRKMCZJXOZIFEL-UHFFFAOYSA-N
XLogP0.40
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736103
N-methyl-1-(1-naphthalen-2-yltetrazol-5-yl)methanamine
CID 55108826
N-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]methanamine
CID 62737570
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736070
1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737573
[1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine
CID 82859823
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103085062
N-[[1-(3-methoxyphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55109096
1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 113399822
1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737936
3,4,5-trimethoxy-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]aniline
CID 102263409
1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine
CID 66242844

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine (CID 62736102) is 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine is CNCc1nnnn1-c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine?
The InChIKey is ZRKMCZJXOZIFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-12-7-11-13-14-15-16(11)8-4-9(17-2)6-10(5-8)18-3/h4-6,12H,7H2,1-3H3.
What are the key properties of 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine?
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine has a molecular weight of 249.27 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62736102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).