1-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine

C16H15BrN6O2 — CID 23877559

IUPAC1-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine
SMILESCOc1cc(OC)c(C=Nn2nnnc2Nc2ccccc2)cc1Br
InChIInChI=1S/C16H15BrN6O2/c1-24-14-9-15(25-2)13(17)8-11(14)10-18-23-16(20-21-22-23)19-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,19,20,22)
InChIKeyBERCAVFKLDOJSP-UHFFFAOYSA-N
MW403.24 g/mol
LogP3.08
Rot. Bonds6

About 1-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine

1-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine (PubChem CID 23877559) has the molecular formula C16H15BrN6O2 and a molecular weight of 403.24 g/mol. Its IUPAC name is 1-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine.

Molecular Properties

Compound Name1-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine
PubChem CID23877559
Molecular FormulaC16H15BrN6O2
Molecular Weight403.24 g/mol
Exact Mass402.04
IUPAC Name1-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine
SMILESCOc1cc(OC)c(C=Nn2nnnc2Nc2ccccc2)cc1Br
InChIInChI=1S/C16H15BrN6O2/c1-24-14-9-15(25-2)13(17)8-11(14)10-18-23-16(20-21-22-23)19-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,19,20,22)
InChIKeyBERCAVFKLDOJSP-UHFFFAOYSA-N
XLogP3.08
TPSA86.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.24
LogP ≤ 53.08
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-[(5-Bromo-2,4-dimethoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 1011173
1-[(5-Bromo-2,4-diethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 3342575
1-[(5-Bromo-2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 3384684
1-[(5-Bromo-2,4-dimethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 3452068
N-phenyl-1-[(2,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 3980214
1-[(5-Bromo-2,4-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)urea
CID 4268868
1-[(5-Bromo-2,4-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 4504968
1-[(5-Bromo-2,4-dimethoxyphenyl)methylideneamino]-3-phenylthiourea
CID 5087943
N-phenyl-1-[(2,3,4-trimethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 5189405
1-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 5432017
1-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5810582
N-phenyl-1-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 5976385

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine?
The IUPAC name of 1-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine (CID 23877559) is 1-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine.
What is the SMILES notation for 1-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine?
The canonical SMILES for 1-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine is COc1cc(OC)c(C=Nn2nnnc2Nc2ccccc2)cc1Br.
What is the InChIKey of 1-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine?
The InChIKey is BERCAVFKLDOJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN6O2/c1-24-14-9-15(25-2)13(17)8-11(14)10-18-23-16(20-21-22-23)19-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,19,20,22).
What are the key properties of 1-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine?
1-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine has a molecular weight of 403.24 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine is sourced from PubChem (CID 23877559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).