N-ethyl-4-(2H-tetrazol-5-yl)aniline

C9H11N5 — CID 23224655

IUPACN-ethyl-4-(2H-tetrazol-5-yl)aniline
SMILESCCNc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H11N5/c1-2-10-8-5-3-7(4-6-8)9-11-13-14-12-9/h3-6,10H,2H2,1H3,(H,11,12,13,14)
InChIKeyXELURKQPMSJVEF-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.30
Rot. Bonds3

About N-ethyl-4-(2H-tetrazol-5-yl)aniline

N-ethyl-4-(2H-tetrazol-5-yl)aniline (PubChem CID 23224655) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-ethyl-4-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-ethyl-4-(2H-tetrazol-5-yl)aniline
PubChem CID23224655
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-ethyl-4-(2H-tetrazol-5-yl)aniline
SMILESCCNc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H11N5/c1-2-10-8-5-3-7(4-6-8)9-11-13-14-12-9/h3-6,10H,2H2,1H3,(H,11,12,13,14)
InChIKeyXELURKQPMSJVEF-UHFFFAOYSA-N
XLogP1.30
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2H-tetrazol-5-yl)aniline?
The IUPAC name of N-ethyl-4-(2H-tetrazol-5-yl)aniline (CID 23224655) is N-ethyl-4-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for N-ethyl-4-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for N-ethyl-4-(2H-tetrazol-5-yl)aniline is CCNc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-ethyl-4-(2H-tetrazol-5-yl)aniline?
The InChIKey is XELURKQPMSJVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-2-10-8-5-3-7(4-6-8)9-11-13-14-12-9/h3-6,10H,2H2,1H3,(H,11,12,13,14).
What are the key properties of N-ethyl-4-(2H-tetrazol-5-yl)aniline?
N-ethyl-4-(2H-tetrazol-5-yl)aniline has a molecular weight of 189.22 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 23224655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).