1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine

C11H13BrN6O2 — CID 23849524

IUPAC1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCCOc1c(Br)cc(C=Nn2nnnc2N)cc1OC
InChIInChI=1S/C11H13BrN6O2/c1-3-20-10-8(12)4-7(5-9(10)19-2)6-14-18-11(13)15-16-17-18/h4-6H,3H2,1-2H3,(H2,13,15,17)
InChIKeyRCDQWMFXGZZLJL-UHFFFAOYSA-N
MW341.17 g/mol
LogP1.31
Rot. Bonds5

About 1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine

1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 23849524) has the molecular formula C11H13BrN6O2 and a molecular weight of 341.17 g/mol. Its IUPAC name is 1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine
PubChem CID23849524
Molecular FormulaC11H13BrN6O2
Molecular Weight341.17 g/mol
Exact Mass340.03
IUPAC Name1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCCOc1c(Br)cc(C=Nn2nnnc2N)cc1OC
InChIInChI=1S/C11H13BrN6O2/c1-3-20-10-8(12)4-7(5-9(10)19-2)6-14-18-11(13)15-16-17-18/h4-6H,3H2,1-2H3,(H2,13,15,17)
InChIKeyRCDQWMFXGZZLJL-UHFFFAOYSA-N
XLogP1.31
TPSA100.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6114126
2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-chloro-6-methoxyphenoxy]acetonitrile
CID 51682446
1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 1285947
4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2,6-dibromophenol
CID 135765559
6-amino-1-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024562
1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6104723
2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide
CID 6858847
4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol
CID 135685288
4-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 9358875
1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630451
1-(3-bromo-4,5-diethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 727347
(Z)-1-(3-bromo-4,5-diethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5398171

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine (CID 23849524) is 1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine is CCOc1c(Br)cc(C=Nn2nnnc2N)cc1OC.
What is the InChIKey of 1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is RCDQWMFXGZZLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN6O2/c1-3-20-10-8(12)4-7(5-9(10)19-2)6-14-18-11(13)15-16-17-18/h4-6H,3H2,1-2H3,(H2,13,15,17).
What are the key properties of 1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine?
1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 341.17 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 23849524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).