1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine

C13H17BrN6O2 — CID 6114126

IUPAC1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCCCOc1c(Br)cc(/C=N\n2nnnc2N)cc1OCC
InChIInChI=1S/C13H17BrN6O2/c1-3-5-22-12-10(14)6-9(7-11(12)21-4-2)8-16-20-13(15)17-18-19-20/h6-8H,3-5H2,1-2H3,(H2,15,17,19)/b16-8-
InChIKeyPDXREIRENSWPFC-PXNMLYILSA-N
MW369.22 g/mol
LogP2.09
Rot. Bonds7

About 1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine

1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 6114126) has the molecular formula C13H17BrN6O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is 1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine
PubChem CID6114126
Molecular FormulaC13H17BrN6O2
Molecular Weight369.22 g/mol
Exact Mass368.06
IUPAC Name1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCCCOc1c(Br)cc(/C=N\n2nnnc2N)cc1OCC
InChIInChI=1S/C13H17BrN6O2/c1-3-5-22-12-10(14)6-9(7-11(12)21-4-2)8-16-20-13(15)17-18-19-20/h6-8H,3-5H2,1-2H3,(H2,15,17,19)/b16-8-
InChIKeyPDXREIRENSWPFC-PXNMLYILSA-N
XLogP2.09
TPSA100.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 23849524
(Z)-1-(3-bromo-5-ethoxy-4-propoxyphenyl)-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)methanimine
CID 110521580
4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxy-6-nitrophenol
CID 135685288
(Z)-1-(3-bromo-5-ethoxy-4-propoxyphenyl)-N-(3-ethyl-5-methylsulfanyl-1,2,4-triazol-4-yl)methanimine
CID 110521795
4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2,6-dibromophenol
CID 135765559
1-[(2-propoxyphenyl)methylideneamino]tetrazol-5-amine
CID 21214124
(Z)-1-(3-bromo-5-ethoxy-4-propoxyphenyl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine
CID 110522002
1-(3-bromo-4,5-diethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 727347
(Z)-1-(3-bromo-4,5-diethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5398171
(NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide
CID 110518761
1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6104723
3-(3-bromo-5-ethoxy-4-propoxyphenyl)prop-2-enoic acid
CID 57360342

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine (CID 6114126) is 1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine is CCCOc1c(Br)cc(/C=N\n2nnnc2N)cc1OCC.
What is the InChIKey of 1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is PDXREIRENSWPFC-PXNMLYILSA-N. The full InChI is InChI=1S/C13H17BrN6O2/c1-3-5-22-12-10(14)6-9(7-11(12)21-4-2)8-16-20-13(15)17-18-19-20/h6-8H,3-5H2,1-2H3,(H2,15,17,19)/b16-8-.
What are the key properties of 1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine?
1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 369.22 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6114126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).