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

C10H17N3O — CID 142345292

IUPACethane;3-methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC.COc1nnc2n1C=C(C)CC2
InChIInChI=1S/C8H11N3O.C2H6/c1-6-3-4-7-9-10-8(12-2)11(7)5-6;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyQZDDDFGYURZOMQ-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.12
Rot. Bonds1

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

ethane;3-methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 142345292) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is ethane;3-methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Nameethane;3-methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID142345292
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Nameethane;3-methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC.COc1nnc2n1C=C(C)CC2
InChIInChI=1S/C8H11N3O.C2H6/c1-6-3-4-7-9-10-8(12-2)11(7)5-6;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyQZDDDFGYURZOMQ-UHFFFAOYSA-N
XLogP2.12
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-Dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine;ethane
CID 142345245
Ethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole
CID 142345415
Ethane;6-methyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 143587981
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
ethane;3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 168958147
3,6-Dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 142345246
3-Methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 142345293
3-Ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole
CID 142345416

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of ethane;3-methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 142345292) is ethane;3-methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for ethane;3-methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for ethane;3-methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is CC.COc1nnc2n1C=C(C)CC2.
What is the InChIKey of ethane;3-methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QZDDDFGYURZOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.C2H6/c1-6-3-4-7-9-10-8(12-2)11(7)5-6;1-2/h5H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
ethane;3-methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 195.27 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 142345292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).