5-ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine

C9H11N3 — CID 123819444

IUPAC5-ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC=CC1=C(C)CCc2nncn21
InChIInChI=1S/C9H11N3/c1-3-8-7(2)4-5-9-11-10-6-12(8)9/h3,6H,1,4-5H2,2H3
InChIKeyIIEWAVDXKJULMY-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.64
Rot. Bonds1

About 5-ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine

5-ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 123819444) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 5-ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID123819444
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name5-ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC=CC1=C(C)CCc2nncn21
InChIInChI=1S/C9H11N3/c1-3-8-7(2)4-5-9-11-10-6-12(8)9/h3,6H,1,4-5H2,2H3
InChIKeyIIEWAVDXKJULMY-UHFFFAOYSA-N
XLogP1.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123332773
5-(1-Fluoroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123363488
5-(Fluoromethyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123905242
5,6,7,10-Tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline
CID 21959585
N,N-dimethyl-3-(4-methyl-1,2,4-triazol-3-yl)benzene-4-id-1-amine;iridium
CID 57648579
iridium;5-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
CID 58517481
iridium;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58517805
iridium;6-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
CID 58518086
1-(Cyclohexa-1,3-dien-1-ylmethyl)-5-methyl-1,2,4-triazole
CID 89218488
4-(6-Methylhepta-4,6-dienyl)-3-propyl-1,2,4-triazole
CID 123155448
5,6-Bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123240038
5-(1-Chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123374902

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 123819444) is 5-ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is C=CC1=C(C)CCc2nncn21.
What is the InChIKey of 5-ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is IIEWAVDXKJULMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-3-8-7(2)4-5-9-11-10-6-12(8)9/h3,6H,1,4-5H2,2H3.
What are the key properties of 5-ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
5-ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 161.21 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 123819444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).