1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine

C16H15BrCl2N6O2 — CID 1227064

IUPAC1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
SMILESCOc1cc(CNn2nnnc2N)cc(Br)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15BrCl2N6O2/c1-26-14-5-9(7-21-25-16(20)22-23-24-25)4-12(17)15(14)27-8-10-2-3-11(18)6-13(10)19/h2-6,21H,7-8H2,1H3,(H2,20,22,24)
InChIKeyXKLPSNUEQOPJQK-UHFFFAOYSA-N
MW474.15 g/mol
LogP3.66
Rot. Bonds7

About 1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine

1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine (PubChem CID 1227064) has the molecular formula C16H15BrCl2N6O2 and a molecular weight of 474.15 g/mol. Its IUPAC name is 1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
PubChem CID1227064
Molecular FormulaC16H15BrCl2N6O2
Molecular Weight474.15 g/mol
Exact Mass471.98
IUPAC Name1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
SMILESCOc1cc(CNn2nnnc2N)cc(Br)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15BrCl2N6O2/c1-26-14-5-9(7-21-25-16(20)22-23-24-25)4-12(17)15(14)27-8-10-2-3-11(18)6-13(10)19/h2-6,21H,7-8H2,1H3,(H2,20,22,24)
InChIKeyXKLPSNUEQOPJQK-UHFFFAOYSA-N
XLogP3.66
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.15
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine (CID 1227064) is 1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine is COc1cc(CNn2nnnc2N)cc(Br)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine?
The InChIKey is XKLPSNUEQOPJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2N6O2/c1-26-14-5-9(7-21-25-16(20)22-23-24-25)4-12(17)15(14)27-8-10-2-3-11(18)6-13(10)19/h2-6,21H,7-8H2,1H3,(H2,20,22,24).
What are the key properties of 1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine?
1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine has a molecular weight of 474.15 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 1227064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).