5-bromo-3-methyl-2-(1-methyltetrazol-5-yl)oxyaniline

C9H10BrN5O — CID 79844958

IUPAC5-bromo-3-methyl-2-(1-methyltetrazol-5-yl)oxyaniline
SMILESCc1cc(Br)cc(N)c1Oc1nnnn1C
InChIInChI=1S/C9H10BrN5O/c1-5-3-6(10)4-7(11)8(5)16-9-12-13-14-15(9)2/h3-4H,11H2,1-2H3
InChIKeyMRIMAKKBWIQKBC-UHFFFAOYSA-N
MW284.12 g/mol
LogP1.66
Rot. Bonds2

About 5-bromo-3-methyl-2-(1-methyltetrazol-5-yl)oxyaniline

5-bromo-3-methyl-2-(1-methyltetrazol-5-yl)oxyaniline (PubChem CID 79844958) has the molecular formula C9H10BrN5O and a molecular weight of 284.12 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-(1-methyltetrazol-5-yl)oxyaniline.

Molecular Properties

Compound Name5-bromo-3-methyl-2-(1-methyltetrazol-5-yl)oxyaniline
PubChem CID79844958
Molecular FormulaC9H10BrN5O
Molecular Weight284.12 g/mol
Exact Mass283.01
IUPAC Name5-bromo-3-methyl-2-(1-methyltetrazol-5-yl)oxyaniline
SMILESCc1cc(Br)cc(N)c1Oc1nnnn1C
InChIInChI=1S/C9H10BrN5O/c1-5-3-6(10)4-7(11)8(5)16-9-12-13-14-15(9)2/h3-4H,11H2,1-2H3
InChIKeyMRIMAKKBWIQKBC-UHFFFAOYSA-N
XLogP1.66
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-(1-methyltetrazol-5-yl)oxyaniline?
The IUPAC name of 5-bromo-3-methyl-2-(1-methyltetrazol-5-yl)oxyaniline (CID 79844958) is 5-bromo-3-methyl-2-(1-methyltetrazol-5-yl)oxyaniline.
What is the SMILES notation for 5-bromo-3-methyl-2-(1-methyltetrazol-5-yl)oxyaniline?
The canonical SMILES for 5-bromo-3-methyl-2-(1-methyltetrazol-5-yl)oxyaniline is Cc1cc(Br)cc(N)c1Oc1nnnn1C.
What is the InChIKey of 5-bromo-3-methyl-2-(1-methyltetrazol-5-yl)oxyaniline?
The InChIKey is MRIMAKKBWIQKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O/c1-5-3-6(10)4-7(11)8(5)16-9-12-13-14-15(9)2/h3-4H,11H2,1-2H3.
What are the key properties of 5-bromo-3-methyl-2-(1-methyltetrazol-5-yl)oxyaniline?
5-bromo-3-methyl-2-(1-methyltetrazol-5-yl)oxyaniline has a molecular weight of 284.12 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-(1-methyltetrazol-5-yl)oxyaniline is sourced from PubChem (CID 79844958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).