6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

C13H21N3O — CID 164633989

IUPAC6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1(C)CCc2nnc([C@]3(C)CCCO3)n2C1
InChIInChI=1S/C13H21N3O/c1-12(2)7-5-10-14-15-11(16(10)9-12)13(3)6-4-8-17-13/h4-9H2,1-3H3/t13-/m0/s1
InChIKeyHUYIIADBIMXCJC-ZDUSSCGKSA-N
MW235.33 g/mol
LogP2.28
Rot. Bonds1

About 6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 164633989) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID164633989
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1(C)CCc2nnc([C@]3(C)CCCO3)n2C1
InChIInChI=1S/C13H21N3O/c1-12(2)7-5-10-14-15-11(16(10)9-12)13(3)6-4-8-17-13/h4-9H2,1-3H3/t13-/m0/s1
InChIKeyHUYIIADBIMXCJC-ZDUSSCGKSA-N
XLogP2.28
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

3-(ethoxymethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559766
3-[(1S)-1-(2-methoxyethoxy)ethyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 164631363
3-[(3R)-3-methoxyoxolan-3-yl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 164633944
9-[4-methyl-5-[(2S)-2-methyloxolan-2-yl]-1,2,4-triazol-3-yl]-6-oxa-9-azaspiro[4.5]decane
CID 164636068
6,6-Dimethyl-3-propan-2-yl-5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 179014301
3,6-di(propan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 179015194
3-(2-Methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 80173539
8-Methyl-3-(2-methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 80173540
3-Chloro-5-methyl-4-[(2-methyloxolan-2-yl)methyl]-1,2,4-triazole
CID 80193707
3-Chloro-4-[(2-methyloxolan-2-yl)methyl]-5-propyl-1,2,4-triazole
CID 80193708
3-Chloro-4-[(2-methyloxolan-2-yl)methyl]-5-propan-2-yl-1,2,4-triazole
CID 80193789
3-Chloro-5-ethyl-4-[(2-methyloxolan-2-yl)methyl]-1,2,4-triazole
CID 80193872

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (CID 164633989) is 6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is CC1(C)CCc2nnc([C@]3(C)CCCO3)n2C1.
What is the InChIKey of 6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HUYIIADBIMXCJC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21N3O/c1-12(2)7-5-10-14-15-11(16(10)9-12)13(3)6-4-8-17-13/h4-9H2,1-3H3/t13-/m0/s1.
What are the key properties of 6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 235.33 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 164633989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).