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

C9H11N5O — CID 61352259

IUPAC4-methoxy-3-(1-methyltetrazol-5-yl)aniline
SMILESCOc1ccc(N)cc1-c1nnnn1C
InChIInChI=1S/C9H11N5O/c1-14-9(11-12-13-14)7-5-6(10)3-4-8(7)15-2/h3-5H,10H2,1-2H3
InChIKeySGNRFEPRQNVIHL-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.47
Rot. Bonds2

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

4-methoxy-3-(1-methyltetrazol-5-yl)aniline (PubChem CID 61352259) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-methoxy-3-(1-methyltetrazol-5-yl)aniline.

Molecular Properties

Compound Name4-methoxy-3-(1-methyltetrazol-5-yl)aniline
PubChem CID61352259
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name4-methoxy-3-(1-methyltetrazol-5-yl)aniline
SMILESCOc1ccc(N)cc1-c1nnnn1C
InChIInChI=1S/C9H11N5O/c1-14-9(11-12-13-14)7-5-6(10)3-4-8(7)15-2/h3-5H,10H2,1-2H3
InChIKeySGNRFEPRQNVIHL-UHFFFAOYSA-N
XLogP0.47
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.47
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 4-methoxy-3-(1-methyltetrazol-5-yl)aniline?
The IUPAC name of 4-methoxy-3-(1-methyltetrazol-5-yl)aniline (CID 61352259) is 4-methoxy-3-(1-methyltetrazol-5-yl)aniline.
What is the SMILES notation for 4-methoxy-3-(1-methyltetrazol-5-yl)aniline?
The canonical SMILES for 4-methoxy-3-(1-methyltetrazol-5-yl)aniline is COc1ccc(N)cc1-c1nnnn1C.
What is the InChIKey of 4-methoxy-3-(1-methyltetrazol-5-yl)aniline?
The InChIKey is SGNRFEPRQNVIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-14-9(11-12-13-14)7-5-6(10)3-4-8(7)15-2/h3-5H,10H2,1-2H3.
What are the key properties of 4-methoxy-3-(1-methyltetrazol-5-yl)aniline?
4-methoxy-3-(1-methyltetrazol-5-yl)aniline has a molecular weight of 205.22 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-methyltetrazol-5-yl)aniline is sourced from PubChem (CID 61352259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).