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

C10H17N3 — CID 142345245

IUPAC3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine;ethane
SMILESCC.CC1=Cn2c(C)nnc2CC1
InChIInChI=1S/C8H11N3.C2H6/c1-6-3-4-8-10-9-7(2)11(8)5-6;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyZPLBQSUFVSBOSP-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.42
Rot. Bonds

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

3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine;ethane (PubChem CID 142345245) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine;ethane.

Molecular Properties

Compound Name3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine;ethane
PubChem CID142345245
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine;ethane
SMILESCC.CC1=Cn2c(C)nnc2CC1
InChIInChI=1S/C8H11N3.C2H6/c1-6-3-4-8-10-9-7(2)11(8)5-6;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyZPLBQSUFVSBOSP-UHFFFAOYSA-N
XLogP2.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine;ethane 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
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
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
Ethane;4-ethenyl-3-methyl-5-prop-1-en-2-yl-1,2,4-triazole
CID 144033869
6-Ethyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 148069634
Ethane;6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 164555160
6-Propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 164555161

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine;ethane?
The IUPAC name of 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine;ethane (CID 142345245) is 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine;ethane.
What is the SMILES notation for 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine;ethane?
The canonical SMILES for 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine;ethane is CC.CC1=Cn2c(C)nnc2CC1.
What is the InChIKey of 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine;ethane?
The InChIKey is ZPLBQSUFVSBOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.C2H6/c1-6-3-4-8-10-9-7(2)11(8)5-6;1-2/h5H,3-4H2,1-2H3;1-2H3.
What are the key properties of 3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine;ethane?
3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine;ethane has a molecular weight of 179.27 g/mol, XLogP of 2.42, 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;ethane is sourced from PubChem (CID 142345245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).