N-[2-(2H-tetrazol-5-yl)ethyl]aniline

C9H11N5 — CID 3041345

IUPACN-[2-(2H-tetrazol-5-yl)ethyl]aniline
SMILESc1ccc(NCCc2nn[nH]n2)cc1
InChIInChI=1S/C9H11N5/c1-2-4-8(5-3-1)10-7-6-9-11-13-14-12-9/h1-5,10H,6-7H2,(H,11,12,13,14)
InChIKeyRCUUDHDCFPYQSW-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.85
Rot. Bonds4

About N-[2-(2H-tetrazol-5-yl)ethyl]aniline

N-[2-(2H-tetrazol-5-yl)ethyl]aniline (PubChem CID 3041345) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-[2-(2H-tetrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(2H-tetrazol-5-yl)ethyl]aniline
PubChem CID3041345
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-[2-(2H-tetrazol-5-yl)ethyl]aniline
SMILESc1ccc(NCCc2nn[nH]n2)cc1
InChIInChI=1S/C9H11N5/c1-2-4-8(5-3-1)10-7-6-9-11-13-14-12-9/h1-5,10H,6-7H2,(H,11,12,13,14)
InChIKeyRCUUDHDCFPYQSW-UHFFFAOYSA-N
XLogP0.85
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2H-tetrazol-5-yl)ethyl]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 N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The IUPAC name of N-[2-(2H-tetrazol-5-yl)ethyl]aniline (CID 3041345) is N-[2-(2H-tetrazol-5-yl)ethyl]aniline.
What is the SMILES notation for N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The canonical SMILES for N-[2-(2H-tetrazol-5-yl)ethyl]aniline is c1ccc(NCCc2nn[nH]n2)cc1.
What is the InChIKey of N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The InChIKey is RCUUDHDCFPYQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-2-4-8(5-3-1)10-7-6-9-11-13-14-12-9/h1-5,10H,6-7H2,(H,11,12,13,14).
What are the key properties of N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
N-[2-(2H-tetrazol-5-yl)ethyl]aniline has a molecular weight of 189.22 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2H-tetrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 3041345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).