3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine

C8H11N3 — CID 142345246

IUPAC3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1=Cn2c(C)nnc2CC1
InChIInChI=1S/C8H11N3/c1-6-3-4-8-10-9-7(2)11(8)5-6/h5H,3-4H2,1-2H3
InChIKeyCMFLALHKSSUWTL-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.39
Rot. Bonds

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

3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 142345246) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID142345246
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1=Cn2c(C)nnc2CC1
InChIInChI=1S/C8H11N3/c1-6-3-4-8-10-9-7(2)11(8)5-6/h5H,3-4H2,1-2H3
InChIKeyCMFLALHKSSUWTL-UHFFFAOYSA-N
XLogP1.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

3-Tert-butyl-4-methyl-5-pent-4-enyl-1,2,4-triazole
CID 57691877
3-Methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 59299764
2-Methyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 68072983
2,8-Dimethyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 89603927
5-Ethyl-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123297633
3-Propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 140925383
3-But-3-enyl-4-ethyl-5-methyl-1,2,4-triazole
CID 141179558
3,6-Dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine;ethane
CID 142345245
Ethane;3-methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 142345292
Ethane;3-hexa-4,5-dienyl-4,5-dimethyl-1,2,4-triazole
CID 143209033
Ethane;6-methyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 143587981
6-Methyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 143587982

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 142345246) is 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is CC1=Cn2c(C)nnc2CC1.
What is the InChIKey of 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is CMFLALHKSSUWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-6-3-4-8-10-9-7(2)11(8)5-6/h5H,3-4H2,1-2H3.
What are the key properties of 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 149.20 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 142345246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).