1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine

C11H14N6O3 — CID 5340791

IUPAC1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1cc(/C=N/n2nnnc2N)cc(OC)c1OC
InChIInChI=1S/C11H14N6O3/c1-18-8-4-7(5-9(19-2)10(8)20-3)6-13-17-11(12)14-15-16-17/h4-6H,1-3H3,(H2,12,14,16)/b13-6+
InChIKeyDNDXLHASZYEMCI-AWNIVKPZSA-N
MW278.27 g/mol
LogP0.16
Rot. Bonds5

About 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine

1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 5340791) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine
PubChem CID5340791
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1cc(/C=N/n2nnnc2N)cc(OC)c1OC
InChIInChI=1S/C11H14N6O3/c1-18-8-4-7(5-9(19-2)10(8)20-3)6-13-17-11(12)14-15-16-17/h4-6H,1-3H3,(H2,12,14,16)/b13-6+
InChIKeyDNDXLHASZYEMCI-AWNIVKPZSA-N
XLogP0.16
TPSA109.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine
CID 6859182
(2-{[(5-amino-1H-tetraazol-1-yl)imino]methyl}-6-methoxyphenoxy)acetonitrile
CID 6873681
1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858630
5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol
CID 6859201
{[(3,4,5-Trimethoxyphenyl)methylidene]amino}thiourea
CID 6861395
N'',N'''-bis(3,4,5-trimethoxybenzylidene)thiocarbonohydrazide
CID 6899594
1-[(E)-(3-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6859215
2-{(E)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}-6-methoxyphenol
CID 135589670
N~1~-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-1H-tetrazole-1,5-diamine
CID 5343953
N*1*-(3,4-Diethoxy-benzylidene)-tetrazole-1,5-diamine
CID 6858680
1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6859134
Acetic acid 4-[(5-amino-tetrazol-1-ylimino)-methyl]-2-methoxy-phenyl ester
CID 9591670

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine (CID 5340791) is 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine is COc1cc(/C=N/n2nnnc2N)cc(OC)c1OC.
What is the InChIKey of 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is DNDXLHASZYEMCI-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-18-8-4-7(5-9(19-2)10(8)20-3)6-13-17-11(12)14-15-16-17/h4-6H,1-3H3,(H2,12,14,16)/b13-6+.
What are the key properties of 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine?
1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 278.27 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 5340791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).