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

C10H13N5O — CID 62738146

IUPAC[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
SMILESCOc1ccc(C)cc1-n1nnnc1CN
InChIInChI=1S/C10H13N5O/c1-7-3-4-9(16-2)8(5-7)15-10(6-11)12-13-14-15/h3-5H,6,11H2,1-2H3
InChIKeyWENQSRZTHHFQJG-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.44
Rot. Bonds3

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

[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine (PubChem CID 62738146) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is [1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
PubChem CID62738146
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
SMILESCOc1ccc(C)cc1-n1nnnc1CN
InChIInChI=1S/C10H13N5O/c1-7-3-4-9(16-2)8(5-7)15-10(6-11)12-13-14-15/h3-5H,6,11H2,1-2H3
InChIKeyWENQSRZTHHFQJG-UHFFFAOYSA-N
XLogP0.44
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine (CID 62738146) is [1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine is COc1ccc(C)cc1-n1nnnc1CN.
What is the InChIKey of [1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine?
The InChIKey is WENQSRZTHHFQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-3-4-9(16-2)8(5-7)15-10(6-11)12-13-14-15/h3-5H,6,11H2,1-2H3.
What are the key properties of [1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine?
[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine has a molecular weight of 219.25 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 62738146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).