N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine

C12H17N5O2 — CID 4725761

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCCOc1ccc(CNc2nnnn2C)cc1OC
InChIInChI=1S/C12H17N5O2/c1-4-19-10-6-5-9(7-11(10)18-3)8-13-12-14-15-16-17(12)2/h5-7H,4,8H2,1-3H3,(H,13,14,16)
InChIKeyDUEXPRXDIWSPDS-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.23
Rot. Bonds6

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 4725761) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID4725761
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCCOc1ccc(CNc2nnnn2C)cc1OC
InChIInChI=1S/C12H17N5O2/c1-4-19-10-6-5-9(7-11(10)18-3)8-13-12-14-15-16-17(12)2/h5-7H,4,8H2,1-3H3,(H,13,14,16)
InChIKeyDUEXPRXDIWSPDS-UHFFFAOYSA-N
XLogP1.23
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine (CID 4725761) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine is CCOc1ccc(CNc2nnnn2C)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is DUEXPRXDIWSPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-4-19-10-6-5-9(7-11(10)18-3)8-13-12-14-15-16-17(12)2/h5-7H,4,8H2,1-3H3,(H,13,14,16).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 263.30 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 4725761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).