N,N-dimethyl-4-(tetrazol-2-yl)aniline

C9H11N5 — CID 102483877

IUPACN,N-dimethyl-4-(tetrazol-2-yl)aniline
SMILESCN(C)c1ccc(-n2ncnn2)cc1
InChIInChI=1S/C9H11N5/c1-13(2)8-3-5-9(6-4-8)14-11-7-10-12-14/h3-7H,1-2H3
InChIKeyUUTHVKASTQFXQA-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.73
Rot. Bonds2

About N,N-dimethyl-4-(tetrazol-2-yl)aniline

N,N-dimethyl-4-(tetrazol-2-yl)aniline (PubChem CID 102483877) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N,N-dimethyl-4-(tetrazol-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(tetrazol-2-yl)aniline
PubChem CID102483877
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN,N-dimethyl-4-(tetrazol-2-yl)aniline
SMILESCN(C)c1ccc(-n2ncnn2)cc1
InChIInChI=1S/C9H11N5/c1-13(2)8-3-5-9(6-4-8)14-11-7-10-12-14/h3-7H,1-2H3
InChIKeyUUTHVKASTQFXQA-UHFFFAOYSA-N
XLogP0.73
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-(tetrazol-2-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 N,N-dimethyl-4-(tetrazol-2-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(tetrazol-2-yl)aniline (CID 102483877) is N,N-dimethyl-4-(tetrazol-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(tetrazol-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(tetrazol-2-yl)aniline is CN(C)c1ccc(-n2ncnn2)cc1.
What is the InChIKey of N,N-dimethyl-4-(tetrazol-2-yl)aniline?
The InChIKey is UUTHVKASTQFXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-13(2)8-3-5-9(6-4-8)14-11-7-10-12-14/h3-7H,1-2H3.
What are the key properties of N,N-dimethyl-4-(tetrazol-2-yl)aniline?
N,N-dimethyl-4-(tetrazol-2-yl)aniline has a molecular weight of 189.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(tetrazol-2-yl)aniline is sourced from PubChem (CID 102483877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).