2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane

C12H21N5 — CID 145074142

IUPAC2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane
SMILESCC.CC.Cc1ccc(-n2cnnn2)nc1C
InChIInChI=1S/C8H9N5.2C2H6/c1-6-3-4-8(10-7(6)2)13-5-9-11-12-13;2*1-2/h3-5H,1-2H3;2*1-2H3
InChIKeyGOSMNNMWDRVFQA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.73
Rot. Bonds1

About 2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane

2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane (PubChem CID 145074142) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane.

Molecular Properties

Compound Name2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane
PubChem CID145074142
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane
SMILESCC.CC.Cc1ccc(-n2cnnn2)nc1C
InChIInChI=1S/C8H9N5.2C2H6/c1-6-3-4-8(10-7(6)2)13-5-9-11-12-13;2*1-2/h3-5H,1-2H3;2*1-2H3
InChIKeyGOSMNNMWDRVFQA-UHFFFAOYSA-N
XLogP2.73
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane 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 2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane?
The IUPAC name of 2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane (CID 145074142) is 2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane.
What is the SMILES notation for 2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane?
The canonical SMILES for 2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane is CC.CC.Cc1ccc(-n2cnnn2)nc1C.
What is the InChIKey of 2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane?
The InChIKey is GOSMNNMWDRVFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5.2C2H6/c1-6-3-4-8(10-7(6)2)13-5-9-11-12-13;2*1-2/h3-5H,1-2H3;2*1-2H3.
What are the key properties of 2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane?
2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane has a molecular weight of 235.33 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(tetrazol-1-yl)pyridine;ethane is sourced from PubChem (CID 145074142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).