3-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline

C9H11N5O2 — CID 63149702

IUPAC3-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline
SMILESCOc1cc(N)ccc1Oc1nnnn1C
InChIInChI=1S/C9H11N5O2/c1-14-9(11-12-13-14)16-7-4-3-6(10)5-8(7)15-2/h3-5H,10H2,1-2H3
InChIKeyGNBVGURUZYKTIS-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.59
Rot. Bonds3

About 3-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline

3-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline (PubChem CID 63149702) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline.

Molecular Properties

Compound Name3-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline
PubChem CID63149702
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name3-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline
SMILESCOc1cc(N)ccc1Oc1nnnn1C
InChIInChI=1S/C9H11N5O2/c1-14-9(11-12-13-14)16-7-4-3-6(10)5-8(7)15-2/h3-5H,10H2,1-2H3
InChIKeyGNBVGURUZYKTIS-UHFFFAOYSA-N
XLogP0.59
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline?
The IUPAC name of 3-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline (CID 63149702) is 3-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline.
What is the SMILES notation for 3-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline?
The canonical SMILES for 3-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline is COc1cc(N)ccc1Oc1nnnn1C.
What is the InChIKey of 3-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline?
The InChIKey is GNBVGURUZYKTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-14-9(11-12-13-14)16-7-4-3-6(10)5-8(7)15-2/h3-5H,10H2,1-2H3.
What are the key properties of 3-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline?
3-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline has a molecular weight of 221.22 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline is sourced from PubChem (CID 63149702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).