1-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine

C15H14BrClN6O — CID 4727273

IUPAC1-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1cc(Br)ccc1OCc1ccccc1Cl
InChIInChI=1S/C15H14BrClN6O/c16-12-5-6-14(24-9-10-3-1-2-4-13(10)17)11(7-12)8-19-23-15(18)20-21-22-23/h1-7,19H,8-9H2,(H2,18,20,22)
InChIKeyHVXMVRIOLIXEOM-UHFFFAOYSA-N
MW409.68 g/mol
LogP2.99
Rot. Bonds6

About 1-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine

1-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine (PubChem CID 4727273) has the molecular formula C15H14BrClN6O and a molecular weight of 409.68 g/mol. Its IUPAC name is 1-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
PubChem CID4727273
Molecular FormulaC15H14BrClN6O
Molecular Weight409.68 g/mol
Exact Mass408.01
IUPAC Name1-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1cc(Br)ccc1OCc1ccccc1Cl
InChIInChI=1S/C15H14BrClN6O/c16-12-5-6-14(24-9-10-3-1-2-4-13(10)17)11(7-12)8-19-23-15(18)20-21-22-23/h1-7,19H,8-9H2,(H2,18,20,22)
InChIKeyHVXMVRIOLIXEOM-UHFFFAOYSA-N
XLogP2.99
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.68
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine with MolForge

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Related Compounds

N~1~-{5-chloro-2-[(2-chloro-4-fluorobenzyl)oxy]benzyl}-1H-tetrazole-1,5-diamine
CID 44615845
1-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727287
1-N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727295
1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727411
1-N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727412
1-N-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 49933547
1-N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 49933671
1-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 49944310
1-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 49944466
1-N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 49945431
1-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 49945586
1-N-[[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 49947277

Frequently Asked Questions

What is the IUPAC name of 1-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine (CID 4727273) is 1-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine is Nc1nnnn1NCc1cc(Br)ccc1OCc1ccccc1Cl.
What is the InChIKey of 1-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The InChIKey is HVXMVRIOLIXEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN6O/c16-12-5-6-14(24-9-10-3-1-2-4-13(10)17)11(7-12)8-19-23-15(18)20-21-22-23/h1-7,19H,8-9H2,(H2,18,20,22).
What are the key properties of 1-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
1-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine has a molecular weight of 409.68 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 4727273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).