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

C13H21N3O2 — CID 164633944

IUPAC3-[(3R)-3-methoxyoxolan-3-yl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCO[C@@]1(c2nnc3n2CC(C)(C)CC3)CCOC1
InChIInChI=1S/C13H21N3O2/c1-12(2)5-4-10-14-15-11(16(10)8-12)13(17-3)6-7-18-9-13/h4-9H2,1-3H3/t13-/m0/s1
InChIKeyDVRYYWIRNZCNOH-ZDUSSCGKSA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds2

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

3-[(3R)-3-methoxyoxolan-3-yl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 164633944) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(3R)-3-methoxyoxolan-3-yl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(3R)-3-methoxyoxolan-3-yl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID164633944
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[(3R)-3-methoxyoxolan-3-yl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCO[C@@]1(c2nnc3n2CC(C)(C)CC3)CCOC1
InChIInChI=1S/C13H21N3O2/c1-12(2)5-4-10-14-15-11(16(10)8-12)13(17-3)6-7-18-9-13/h4-9H2,1-3H3/t13-/m0/s1
InChIKeyDVRYYWIRNZCNOH-ZDUSSCGKSA-N
XLogP1.51
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-3-methoxyoxolan-3-yl]-6,6-dimethyl-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
6,6-dimethyl-3-[(2S)-2-methyloxolan-2-yl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 164633989
9-[4-Ethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2,6-dioxa-9-azaspiro[4.5]decane
CID 138001864
3-Tert-butyl-5-chloro-4-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-triazole
CID 104766106
3-Chloro-4-[(3-methoxyoxolan-3-yl)methyl]-5-propyl-1,2,4-triazole
CID 104766108
3-Chloro-5-ethyl-4-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-triazole
CID 104766111
N-[(3-methoxyoxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 107077780
[3-(2-Methyloxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 113711319
6-Methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117148241
6-Methyl-3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117148485
8-Methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117152413

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-methoxyoxolan-3-yl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(3R)-3-methoxyoxolan-3-yl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (CID 164633944) is 3-[(3R)-3-methoxyoxolan-3-yl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(3R)-3-methoxyoxolan-3-yl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(3R)-3-methoxyoxolan-3-yl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is CO[C@@]1(c2nnc3n2CC(C)(C)CC3)CCOC1.
What is the InChIKey of 3-[(3R)-3-methoxyoxolan-3-yl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is DVRYYWIRNZCNOH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-12(2)5-4-10-14-15-11(16(10)8-12)13(17-3)6-7-18-9-13/h4-9H2,1-3H3/t13-/m0/s1.
What are the key properties of 3-[(3R)-3-methoxyoxolan-3-yl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
3-[(3R)-3-methoxyoxolan-3-yl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 251.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-methoxyoxolan-3-yl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 164633944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).