1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine

C9H10N6O — CID 6858588

IUPAC1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1ccccc1/C=N/n1nnnc1N
InChIInChI=1S/C9H10N6O/c1-16-8-5-3-2-4-7(8)6-11-15-9(10)12-13-14-15/h2-6H,1H3,(H2,10,12,14)/b11-6+
InChIKeyDONQTFSCZZGZOE-IZZDOVSWSA-N
MW218.22 g/mol
LogP0.15
Rot. Bonds3

About 1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine

1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 6858588) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine
PubChem CID6858588
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1ccccc1/C=N/n1nnnc1N
InChIInChI=1S/C9H10N6O/c1-16-8-5-3-2-4-7(8)6-11-15-9(10)12-13-14-15/h2-6H,1H3,(H2,10,12,14)/b11-6+
InChIKeyDONQTFSCZZGZOE-IZZDOVSWSA-N
XLogP0.15
TPSA91.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine (CID 6858588) is 1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine is COc1ccccc1/C=N/n1nnnc1N.
What is the InChIKey of 1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is DONQTFSCZZGZOE-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H10N6O/c1-16-8-5-3-2-4-7(8)6-11-15-9(10)12-13-14-15/h2-6H,1H3,(H2,10,12,14)/b11-6+.
What are the key properties of 1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine?
1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 218.22 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6858588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).