N-[(5-bromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine

C10H12BrN5O — CID 834327

IUPACN-[(5-bromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCCOc1ccc(Br)cc1CNc1nn[nH]n1
InChIInChI=1S/C10H12BrN5O/c1-2-17-9-4-3-8(11)5-7(9)6-12-10-13-15-16-14-10/h3-5H,2,6H2,1H3,(H2,12,13,14,15,16)
InChIKeyHMLIXBYHWYHCEH-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.97
Rot. Bonds5

About N-[(5-bromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine

N-[(5-bromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 834327) has the molecular formula C10H12BrN5O and a molecular weight of 298.14 g/mol. Its IUPAC name is N-[(5-bromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine
PubChem CID834327
Molecular FormulaC10H12BrN5O
Molecular Weight298.14 g/mol
Exact Mass297.02
IUPAC NameN-[(5-bromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCCOc1ccc(Br)cc1CNc1nn[nH]n1
InChIInChI=1S/C10H12BrN5O/c1-2-17-9-4-3-8(11)5-7(9)6-12-10-13-15-16-14-10/h3-5H,2,6H2,1H3,(H2,12,13,14,15,16)
InChIKeyHMLIXBYHWYHCEH-UHFFFAOYSA-N
XLogP1.97
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727595
N-[2-(benzyloxy)benzyl]-1H-tetrazol-5-amine
CID 4727170
N-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 3158529
(4-Allyloxy-benzyl)-(2H-tetrazol-5-yl)-amine
CID 655020
N-[5-bromo-2-(2-thienylmethoxy)benzyl]-2-methyl-2H-tetrazol-5-amine
CID 1017081
N-{5-bromo-2-[(2-fluorobenzyl)oxy]benzyl}-2-methyl-2H-tetrazol-5-amine
CID 1017082
3-N-[[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 155553798
N-(3,5-dibromo-2-methoxybenzyl)-2-ethyl-2H-tetrazol-5-amine
CID 39860663
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine
CID 1288305
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
CID 964526
N-(3,5-dibromo-2-methoxybenzyl)-2-propyl-2H-tetrazol-5-amine
CID 39860706
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
CID 964535

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine (CID 834327) is N-[(5-bromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(5-bromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(5-bromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine is CCOc1ccc(Br)cc1CNc1nn[nH]n1.
What is the InChIKey of N-[(5-bromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is HMLIXBYHWYHCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O/c1-2-17-9-4-3-8(11)5-7(9)6-12-10-13-15-16-14-10/h3-5H,2,6H2,1H3,(H2,12,13,14,15,16).
What are the key properties of N-[(5-bromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine?
N-[(5-bromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 298.14 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 834327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).