1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine

C10H12N6O2 — CID 6859134

IUPAC1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1ccc(/C=N/n2nnnc2N)c(OC)c1
InChIInChI=1S/C10H12N6O2/c1-17-8-4-3-7(9(5-8)18-2)6-12-16-10(11)13-14-15-16/h3-6H,1-2H3,(H2,11,13,15)/b12-6+
InChIKeyXDEFJLUVSQFOHD-WUXMJOGZSA-N
MW248.25 g/mol
LogP0.15
Rot. Bonds4

About 1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine

1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 6859134) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine
PubChem CID6859134
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1ccc(/C=N/n2nnnc2N)c(OC)c1
InChIInChI=1S/C10H12N6O2/c1-17-8-4-3-7(9(5-8)18-2)6-12-16-10(11)13-14-15-16/h3-6H,1-2H3,(H2,11,13,15)/b12-6+
InChIKeyXDEFJLUVSQFOHD-WUXMJOGZSA-N
XLogP0.15
TPSA100.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine (CID 6859134) is 1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine is COc1ccc(/C=N/n2nnnc2N)c(OC)c1.
What is the InChIKey of 1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is XDEFJLUVSQFOHD-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-17-8-4-3-7(9(5-8)18-2)6-12-16-10(11)13-14-15-16/h3-6H,1-2H3,(H2,11,13,15)/b12-6+.
What are the key properties of 1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine?
1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 248.25 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6859134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).