3-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine

C12H20N4O — CID 81252456

IUPAC3-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine
SMILESCC1CCn2c(nnc2CC2COCCN2)C1
InChIInChI=1S/C12H20N4O/c1-9-2-4-16-11(6-9)14-15-12(16)7-10-8-17-5-3-13-10/h9-10,13H,2-8H2,1H3
InChIKeyJFTUQBZUXMZFGZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.39
Rot. Bonds2

About 3-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine

3-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine (PubChem CID 81252456) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine.

Molecular Properties

Compound Name3-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine
PubChem CID81252456
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine
SMILESCC1CCn2c(nnc2CC2COCCN2)C1
InChIInChI=1S/C12H20N4O/c1-9-2-4-16-11(6-9)14-15-12(16)7-10-8-17-5-3-13-10/h9-10,13H,2-8H2,1H3
InChIKeyJFTUQBZUXMZFGZ-UHFFFAOYSA-N
XLogP0.39
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine with MolForge

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Related Compounds

7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151442
2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 117151111
7-methyl-3-(piperidin-4-yloxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 81252552
N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine
CID 81251479
7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151154
7-methyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151494
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[(3R)-morpholin-3-yl]acetamide
CID 95717466
7-methyl-3-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151565
2-morpholin-3-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 56894102
3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151577
N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline
CID 78990700
(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]morpholine
CID 124746471

Frequently Asked Questions

What is the IUPAC name of 3-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine?
The IUPAC name of 3-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine (CID 81252456) is 3-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine.
What is the SMILES notation for 3-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine?
The canonical SMILES for 3-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine is CC1CCn2c(nnc2CC2COCCN2)C1.
What is the InChIKey of 3-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine?
The InChIKey is JFTUQBZUXMZFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-2-4-16-11(6-9)14-15-12(16)7-10-8-17-5-3-13-10/h9-10,13H,2-8H2,1H3.
What are the key properties of 3-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine?
3-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine has a molecular weight of 236.32 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine is sourced from PubChem (CID 81252456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).