2-methoxy-4-(tetrazol-1-yl)aniline

C8H9N5O — CID 5306940

IUPAC2-methoxy-4-(tetrazol-1-yl)aniline
SMILESCOc1cc(-n2cnnn2)ccc1N
InChIInChI=1S/C8H9N5O/c1-14-8-4-6(2-3-7(8)9)13-5-10-11-12-13/h2-5H,9H2,1H3
InChIKeyZFKUGJFJLIZVOJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.25
Rot. Bonds2

About 2-methoxy-4-(tetrazol-1-yl)aniline

2-methoxy-4-(tetrazol-1-yl)aniline (PubChem CID 5306940) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-methoxy-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-methoxy-4-(tetrazol-1-yl)aniline
PubChem CID5306940
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name2-methoxy-4-(tetrazol-1-yl)aniline
SMILESCOc1cc(-n2cnnn2)ccc1N
InChIInChI=1S/C8H9N5O/c1-14-8-4-6(2-3-7(8)9)13-5-10-11-12-13/h2-5H,9H2,1H3
InChIKeyZFKUGJFJLIZVOJ-UHFFFAOYSA-N
XLogP0.25
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.25
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 2-methoxy-4-(tetrazol-1-yl)aniline?
The IUPAC name of 2-methoxy-4-(tetrazol-1-yl)aniline (CID 5306940) is 2-methoxy-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-methoxy-4-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-methoxy-4-(tetrazol-1-yl)aniline is COc1cc(-n2cnnn2)ccc1N.
What is the InChIKey of 2-methoxy-4-(tetrazol-1-yl)aniline?
The InChIKey is ZFKUGJFJLIZVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-14-8-4-6(2-3-7(8)9)13-5-10-11-12-13/h2-5H,9H2,1H3.
What are the key properties of 2-methoxy-4-(tetrazol-1-yl)aniline?
2-methoxy-4-(tetrazol-1-yl)aniline has a molecular weight of 191.19 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 5306940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).