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

C15H13BrCl2N6O — CID 4727280

IUPAC1-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl2N6O/c16-11-2-4-14(25-8-9-1-3-12(17)6-13(9)18)10(5-11)7-20-24-15(19)21-22-23-24/h1-6,20H,7-8H2,(H2,19,21,23)
InChIKeyPUGQKOKYEJEFLI-UHFFFAOYSA-N
MW444.12 g/mol
LogP3.65
Rot. Bonds6

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

1-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine (PubChem CID 4727280) has the molecular formula C15H13BrCl2N6O and a molecular weight of 444.12 g/mol. Its IUPAC name is 1-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
PubChem CID4727280
Molecular FormulaC15H13BrCl2N6O
Molecular Weight444.12 g/mol
Exact Mass441.97
IUPAC Name1-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl2N6O/c16-11-2-4-14(25-8-9-1-3-12(17)6-13(9)18)10(5-11)7-20-24-15(19)21-22-23-24/h1-6,20H,7-8H2,(H2,19,21,23)
InChIKeyPUGQKOKYEJEFLI-UHFFFAOYSA-N
XLogP3.65
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.12
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine
CID 4727407
1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727411
1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine
CID 4725991
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine
CID 78363744
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
CID 28981500
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17295145
1-N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
CID 66539682
4-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 4727737
4-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]-3-propyl-1H-1,2,4-triazole-5-thione
CID 4725899
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723049
1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
CID 66539612
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine
CID 4724734

Frequently Asked Questions

What is the IUPAC name of 1-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine (CID 4727280) is 1-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine is Nc1nnnn1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The InChIKey is PUGQKOKYEJEFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N6O/c16-11-2-4-14(25-8-9-1-3-12(17)6-13(9)18)10(5-11)7-20-24-15(19)21-22-23-24/h1-6,20H,7-8H2,(H2,19,21,23).
What are the key properties of 1-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
1-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine has a molecular weight of 444.12 g/mol, XLogP of 3.65, 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-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 4727280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).