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

C11H19N3 — CID 164555160

IUPACethane;6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC.CC(C)C1=Cn2cnnc2CC1
InChIInChI=1S/C9H13N3.C2H6/c1-7(2)8-3-4-9-11-10-6-12(9)5-8;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyBKKKQYYAQCKYAF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.75
Rot. Bonds1

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

ethane;6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 164555160) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Nameethane;6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID164555160
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Nameethane;6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC.CC(C)C1=Cn2cnnc2CC1
InChIInChI=1S/C9H13N3.C2H6/c1-7(2)8-3-4-9-11-10-6-12(9)5-8;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyBKKKQYYAQCKYAF-UHFFFAOYSA-N
XLogP2.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

6,8,8-Trimethyl-7,9-dihydro-[1,2,4]triazolo[4,3-a]azepine
CID 91340879
6-Piperidin-4-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123340745
7-Methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123806825
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;5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene
CID 143502316
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
6-Ethyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 148069634
6-Propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 164555161
8-Methyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 167021046
4-methyl-3-[(4R)-5-methyl-3-methylideneoct-1-en-4-yl]-1,2,4-triazole
CID 170732282

Frequently Asked Questions

What is the IUPAC name of ethane;6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of ethane;6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 164555160) is ethane;6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for ethane;6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for ethane;6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is CC.CC(C)C1=Cn2cnnc2CC1.
What is the InChIKey of ethane;6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BKKKQYYAQCKYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.C2H6/c1-7(2)8-3-4-9-11-10-6-12(9)5-8;1-2/h5-7H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
ethane;6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 193.29 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 164555160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).