2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide

C11H13N7O3 — CID 6858847

IUPAC2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(/C=N/n2nnnc2N)ccc1OCC(N)=O
InChIInChI=1S/C11H13N7O3/c1-20-9-4-7(2-3-8(9)21-6-10(12)19)5-14-18-11(13)15-16-17-18/h2-5H,6H2,1H3,(H2,12,19)(H2,13,15,17)/b14-5+
InChIKeyRTGIIHPVCONBBN-LHHJGKSTSA-N
MW291.27 g/mol
LogP-0.99
Rot. Bonds6

About 2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide

2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide (PubChem CID 6858847) has the molecular formula C11H13N7O3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide
PubChem CID6858847
Molecular FormulaC11H13N7O3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(/C=N/n2nnnc2N)ccc1OCC(N)=O
InChIInChI=1S/C11H13N7O3/c1-20-9-4-7(2-3-8(9)21-6-10(12)19)5-14-18-11(13)15-16-17-18/h2-5H,6H2,1H3,(H2,12,19)(H2,13,15,17)/b14-5+
InChIKeyRTGIIHPVCONBBN-LHHJGKSTSA-N
XLogP-0.99
TPSA143.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide (CID 6858847) is 2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide is COc1cc(/C=N/n2nnnc2N)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide?
The InChIKey is RTGIIHPVCONBBN-LHHJGKSTSA-N. The full InChI is InChI=1S/C11H13N7O3/c1-20-9-4-7(2-3-8(9)21-6-10(12)19)5-14-18-11(13)15-16-17-18/h2-5H,6H2,1H3,(H2,12,19)(H2,13,15,17)/b14-5+.
What are the key properties of 2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide?
2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide has a molecular weight of 291.27 g/mol, XLogP of -0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 6858847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).