2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline

C12H17N5O — CID 61352261

IUPAC2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline
SMILESCCOc1ccc(-c2nnnn2C(C)C)cc1N
InChIInChI=1S/C12H17N5O/c1-4-18-11-6-5-9(7-10(11)13)12-14-15-16-17(12)8(2)3/h5-8H,4,13H2,1-3H3
InChIKeyWZNYXOUJHOMUGF-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.90
Rot. Bonds4

About 2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline

2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline (PubChem CID 61352261) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline.

Molecular Properties

Compound Name2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline
PubChem CID61352261
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline
SMILESCCOc1ccc(-c2nnnn2C(C)C)cc1N
InChIInChI=1S/C12H17N5O/c1-4-18-11-6-5-9(7-10(11)13)12-14-15-16-17(12)8(2)3/h5-8H,4,13H2,1-3H3
InChIKeyWZNYXOUJHOMUGF-UHFFFAOYSA-N
XLogP1.90
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.90
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-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline?
The IUPAC name of 2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline (CID 61352261) is 2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline.
What is the SMILES notation for 2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline?
The canonical SMILES for 2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline is CCOc1ccc(-c2nnnn2C(C)C)cc1N.
What is the InChIKey of 2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline?
The InChIKey is WZNYXOUJHOMUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-18-11-6-5-9(7-10(11)13)12-14-15-16-17(12)8(2)3/h5-8H,4,13H2,1-3H3.
What are the key properties of 2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline?
2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline has a molecular weight of 247.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline is sourced from PubChem (CID 61352261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).