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

C11H13N3 — CID 123240038

IUPAC5,6-bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC=CC1=C(C=C)n2c(C)nnc2CC1
InChIInChI=1S/C11H13N3/c1-4-9-6-7-11-13-12-8(3)14(11)10(9)5-2/h4-5H,1-2,6-7H2,3H3
InChIKeyYGSORUGOVDJNBB-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.12
Rot. Bonds2

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

5,6-bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 123240038) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5,6-bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID123240038
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name5,6-bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC=CC1=C(C=C)n2c(C)nnc2CC1
InChIInChI=1S/C11H13N3/c1-4-9-6-7-11-13-12-8(3)14(11)10(9)5-2/h4-5H,1-2,6-7H2,3H3
InChIKeyYGSORUGOVDJNBB-UHFFFAOYSA-N
XLogP2.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.12
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-(1-Fluoroethyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123853050
4-(2,6-Dimethylcyclohexa-1,5-dien-1-yl)-3-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole
CID 164090840
3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium
CID 58517831
(8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-[1,2,4]triazolo[1,5-a]pyridine
CID 60042571
5-Ethyl-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123297633
5-(1-Chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123374902
5-(1-Chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123649447
5-(1-Chloroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123711353
5-Ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123819444
5-Ethenyl-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123987415

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5,6-bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 123240038) is 5,6-bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5,6-bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5,6-bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is C=CC1=C(C=C)n2c(C)nnc2CC1.
What is the InChIKey of 5,6-bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is YGSORUGOVDJNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-4-9-6-7-11-13-12-8(3)14(11)10(9)5-2/h4-5H,1-2,6-7H2,3H3.
What are the key properties of 5,6-bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
5,6-bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 187.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 123240038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).