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

C9H10BrN5O — CID 913397

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCOc1ccc(Br)cc1CNc1nn[nH]n1
InChIInChI=1S/C9H10BrN5O/c1-16-8-3-2-7(10)4-6(8)5-11-9-12-14-15-13-9/h2-4H,5H2,1H3,(H2,11,12,13,14,15)
InChIKeyQPFHIUSYTNEZMH-UHFFFAOYSA-N
MW284.12 g/mol
LogP1.58
Rot. Bonds4

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

N-[(5-bromo-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 913397) has the molecular formula C9H10BrN5O and a molecular weight of 284.12 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
PubChem CID913397
Molecular FormulaC9H10BrN5O
Molecular Weight284.12 g/mol
Exact Mass283.01
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCOc1ccc(Br)cc1CNc1nn[nH]n1
InChIInChI=1S/C9H10BrN5O/c1-16-8-3-2-7(10)4-6(8)5-11-9-12-14-15-13-9/h2-4H,5H2,1H3,(H2,11,12,13,14,15)
InChIKeyQPFHIUSYTNEZMH-UHFFFAOYSA-N
XLogP1.58
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-bromo-2-methoxybenzyl)amino]-4H-1,2,4-triazole-3-thiol
CID 2235515
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 2997204
N-[2-(benzyloxy)benzyl]-1H-tetrazol-5-amine
CID 4727170
N-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 3158529
N-{5-bromo-2-[(2-fluorobenzyl)oxy]benzyl}-2-methyl-2H-tetrazol-5-amine
CID 1017082
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-(3,5-dibromo-2-methoxybenzyl)-2-propyl-2H-tetrazol-5-amine
CID 39860706
N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 961498
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine
CID 667225
N-(5-bromo-2-ethoxybenzyl)-2H-tetrazol-5-amine
CID 834327
N-{5-bromo-2-[(2-fluorobenzyl)oxy]benzyl}-1H-tetrazol-5-amine
CID 4727661

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine (CID 913397) is N-[(5-bromo-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine is COc1ccc(Br)cc1CNc1nn[nH]n1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is QPFHIUSYTNEZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O/c1-16-8-3-2-7(10)4-6(8)5-11-9-12-14-15-13-9/h2-4H,5H2,1H3,(H2,11,12,13,14,15).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 284.12 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 913397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).