1-(6-ethyl-3-pyridinyl)benzotriazole

C13H12N4 — CID 71251424

IUPAC1-(6-ethyl-3-pyridinyl)benzotriazole
SMILESCCc1ccc(-n2nnc3ccccc32)cn1
InChIInChI=1S/C13H12N4/c1-2-10-7-8-11(9-14-10)17-13-6-4-3-5-12(13)15-16-17/h3-9H,2H2,1H3
InChIKeyPFVNMRDQWZEOGD-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.38
Rot. Bonds2

About 1-(6-ethyl-3-pyridinyl)benzotriazole

1-(6-ethyl-3-pyridinyl)benzotriazole (PubChem CID 71251424) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(6-ethyl-3-pyridinyl)benzotriazole.

Molecular Properties

Compound Name1-(6-ethyl-3-pyridinyl)benzotriazole
PubChem CID71251424
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name1-(6-ethyl-3-pyridinyl)benzotriazole
SMILESCCc1ccc(-n2nnc3ccccc32)cn1
InChIInChI=1S/C13H12N4/c1-2-10-7-8-11(9-14-10)17-13-6-4-3-5-12(13)15-16-17/h3-9H,2H2,1H3
InChIKeyPFVNMRDQWZEOGD-UHFFFAOYSA-N
XLogP2.38
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6-ethyl-3-pyridinyl)benzotriazole with MolForge

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

Launch Full Analysis

Related Compounds

N-[(Z)-4-[5-(benzotriazol-1-yl)-2-pyridinyl]but-2-en-2-yl]methanimine
CID 166713871
1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole
CID 129169740
1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine
CID 134591552
[2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine
CID 107542354
1-(2-ethyl-3-methylphenyl)benzotriazole
CID 167170064
[4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 43320862
[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83189865
2-(benzotriazol-1-yl)quinoxaline
CID 11096911
1-[4-(benzenesulfonyl)phenyl]benzotriazole
CID 23907838
1-(4-isocyanatophenyl)benzotriazole
CID 169354613
1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole
CID 118331748
1-(4-imidazol-1-ylphenyl)benzotriazole
CID 71124200

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-3-pyridinyl)benzotriazole?
The IUPAC name of 1-(6-ethyl-3-pyridinyl)benzotriazole (CID 71251424) is 1-(6-ethyl-3-pyridinyl)benzotriazole.
What is the SMILES notation for 1-(6-ethyl-3-pyridinyl)benzotriazole?
The canonical SMILES for 1-(6-ethyl-3-pyridinyl)benzotriazole is CCc1ccc(-n2nnc3ccccc32)cn1.
What is the InChIKey of 1-(6-ethyl-3-pyridinyl)benzotriazole?
The InChIKey is PFVNMRDQWZEOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-10-7-8-11(9-14-10)17-13-6-4-3-5-12(13)15-16-17/h3-9H,2H2,1H3.
What are the key properties of 1-(6-ethyl-3-pyridinyl)benzotriazole?
1-(6-ethyl-3-pyridinyl)benzotriazole has a molecular weight of 224.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-3-pyridinyl)benzotriazole is sourced from PubChem (CID 71251424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).