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

C10H12N6O2 — CID 6858630

IUPAC1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1ccc(/C=N/n2nnnc2N)cc1OC
InChIInChI=1S/C10H12N6O2/c1-17-8-4-3-7(5-9(8)18-2)6-12-16-10(11)13-14-15-16/h3-6H,1-2H3,(H2,11,13,15)/b12-6+
InChIKeyQRUFWTHKIDRPHN-WUXMJOGZSA-N
MW248.25 g/mol
LogP0.15
Rot. Bonds4

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

1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 6858630) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine
PubChem CID6858630
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1ccc(/C=N/n2nnnc2N)cc1OC
InChIInChI=1S/C10H12N6O2/c1-17-8-4-3-7(5-9(8)18-2)6-12-16-10(11)13-14-15-16/h3-6H,1-2H3,(H2,11,13,15)/b12-6+
InChIKeyQRUFWTHKIDRPHN-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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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)-(2-ethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858679
5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol
CID 6859201
[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]acetonitrile
CID 605082
1-[(E)-(3-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6859215
2-(4-{[(5-amino-1H-tetraazol-1-yl)imino]methyl}-2-methoxyphenoxy)acetamide
CID 6858847
2-{(E)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}-6-methoxyphenol
CID 135589670
3,4-Dimethoxybenzaldehyde semicarbazone
CID 6907483
N~1~-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-1H-tetrazole-1,5-diamine
CID 5343953
2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]guanidine
CID 9860402
1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 5340791

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine (CID 6858630) is 1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine is COc1ccc(/C=N/n2nnnc2N)cc1OC.
What is the InChIKey of 1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is QRUFWTHKIDRPHN-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-17-8-4-3-7(5-9(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)-(3,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine?
1-[(E)-(3,4-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)-(3,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6858630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).