4-(2-ethyltetrazol-5-yl)aniline

C9H11N5 — CID 1132845

IUPAC4-(2-ethyltetrazol-5-yl)aniline
SMILESCCn1nnc(-c2ccc(N)cc2)n1
InChIInChI=1S/C9H11N5/c1-2-14-12-9(11-13-14)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
InChIKeyXHJVWDBSIBURKF-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.94
Rot. Bonds2

About 4-(2-ethyltetrazol-5-yl)aniline

4-(2-ethyltetrazol-5-yl)aniline (PubChem CID 1132845) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(2-ethyltetrazol-5-yl)aniline.

Molecular Properties

Compound Name4-(2-ethyltetrazol-5-yl)aniline
PubChem CID1132845
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name4-(2-ethyltetrazol-5-yl)aniline
SMILESCCn1nnc(-c2ccc(N)cc2)n1
InChIInChI=1S/C9H11N5/c1-2-14-12-9(11-13-14)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
InChIKeyXHJVWDBSIBURKF-UHFFFAOYSA-N
XLogP0.94
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-ethyltetrazol-5-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyltetrazol-5-yl)aniline?
The IUPAC name of 4-(2-ethyltetrazol-5-yl)aniline (CID 1132845) is 4-(2-ethyltetrazol-5-yl)aniline.
What is the SMILES notation for 4-(2-ethyltetrazol-5-yl)aniline?
The canonical SMILES for 4-(2-ethyltetrazol-5-yl)aniline is CCn1nnc(-c2ccc(N)cc2)n1.
What is the InChIKey of 4-(2-ethyltetrazol-5-yl)aniline?
The InChIKey is XHJVWDBSIBURKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-2-14-12-9(11-13-14)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3.
What are the key properties of 4-(2-ethyltetrazol-5-yl)aniline?
4-(2-ethyltetrazol-5-yl)aniline has a molecular weight of 189.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyltetrazol-5-yl)aniline is sourced from PubChem (CID 1132845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).