[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine

C10H13N5O2 — CID 62737017

IUPAC[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine
SMILESCOc1ccc(-n2nnnc2CN)c(OC)c1
InChIInChI=1S/C10H13N5O2/c1-16-7-3-4-8(9(5-7)17-2)15-10(6-11)12-13-14-15/h3-5H,6,11H2,1-2H3
InChIKeyJQHWNTRWCWVRLP-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.14
Rot. Bonds4

About [1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine

[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine (PubChem CID 62737017) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is [1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine
PubChem CID62737017
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine
SMILESCOc1ccc(-n2nnnc2CN)c(OC)c1
InChIInChI=1S/C10H13N5O2/c1-16-7-3-4-8(9(5-7)17-2)15-10(6-11)12-13-14-15/h3-5H,6,11H2,1-2H3
InChIKeyJQHWNTRWCWVRLP-UHFFFAOYSA-N
XLogP0.14
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737204
[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146
5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole
CID 43134747
[1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine
CID 82197909
[1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine
CID 82859823
[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine
CID 62737585
[1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine
CID 82197918
5-ethyl-1-(2-methoxyphenyl)tetrazole
CID 23117976
2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine
CID 82227998
[1-(2-methylphenyl)tetrazol-5-yl]methanamine
CID 62737009
[1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol
CID 82197872
[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 119106406

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine (CID 62737017) is [1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine is COc1ccc(-n2nnnc2CN)c(OC)c1.
What is the InChIKey of [1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine?
The InChIKey is JQHWNTRWCWVRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-16-7-3-4-8(9(5-7)17-2)15-10(6-11)12-13-14-15/h3-5H,6,11H2,1-2H3.
What are the key properties of [1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine?
[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine has a molecular weight of 235.25 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 62737017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).