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

C10H11ClN6O2 — CID 6858492

IUPAC1-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1cc(/C=N/n2nnnc2N)cc(Cl)c1OC
InChIInChI=1S/C10H11ClN6O2/c1-18-8-4-6(3-7(11)9(8)19-2)5-13-17-10(12)14-15-16-17/h3-5H,1-2H3,(H2,12,14,16)/b13-5+
InChIKeyTUIZASKVVOWQRI-WLRTZDKTSA-N
MW282.69 g/mol
LogP0.81
Rot. Bonds4

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

1-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 6858492) has the molecular formula C10H11ClN6O2 and a molecular weight of 282.69 g/mol. Its IUPAC name is 1-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]tetrazol-5-amine
PubChem CID6858492
Molecular FormulaC10H11ClN6O2
Molecular Weight282.69 g/mol
Exact Mass282.06
IUPAC Name1-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1cc(/C=N/n2nnnc2N)cc(Cl)c1OC
InChIInChI=1S/C10H11ClN6O2/c1-18-8-4-6(3-7(11)9(8)19-2)5-13-17-10(12)14-15-16-17/h3-5H,1-2H3,(H2,12,14,16)/b13-5+
InChIKeyTUIZASKVVOWQRI-WLRTZDKTSA-N
XLogP0.81
TPSA100.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 50.81
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)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]tetrazol-5-amine (CID 6858492) is 1-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]tetrazol-5-amine is COc1cc(/C=N/n2nnnc2N)cc(Cl)c1OC.
What is the InChIKey of 1-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is TUIZASKVVOWQRI-WLRTZDKTSA-N. The full InChI is InChI=1S/C10H11ClN6O2/c1-18-8-4-6(3-7(11)9(8)19-2)5-13-17-10(12)14-15-16-17/h3-5H,1-2H3,(H2,12,14,16)/b13-5+.
What are the key properties of 1-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]tetrazol-5-amine?
1-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 282.69 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6858492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).