N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine

C11H15N5O — CID 4727592

IUPACN-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCCOc1ccc(CNc2nnnn2C)cc1
InChIInChI=1S/C11H15N5O/c1-3-17-10-6-4-9(5-7-10)8-12-11-13-14-15-16(11)2/h4-7H,3,8H2,1-2H3,(H,12,13,15)
InChIKeyGJZKSOQXZQURSE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.22
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine

N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 4727592) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID4727592
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCCOc1ccc(CNc2nnnn2C)cc1
InChIInChI=1S/C11H15N5O/c1-3-17-10-6-4-9(5-7-10)8-12-11-13-14-15-16(11)2/h4-7H,3,8H2,1-2H3,(H,12,13,15)
InChIKeyGJZKSOQXZQURSE-UHFFFAOYSA-N
XLogP1.22
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine (CID 4727592) is N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine is CCOc1ccc(CNc2nnnn2C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is GJZKSOQXZQURSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-17-10-6-4-9(5-7-10)8-12-11-13-14-15-16(11)2/h4-7H,3,8H2,1-2H3,(H,12,13,15).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 233.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 4727592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).