N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C18H22N6O — CID 128980841

IUPACN-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)c1nccn2cnnc12
InChIInChI=1S/C18H22N6O/c1-22-10-11-25-15(16(22)14-6-4-3-5-7-14)12-23(2)17-18-21-20-13-24(18)9-8-19-17/h3-9,13,15-16H,10-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyUOLUHOPQEYVIRK-HOTGVXAUSA-N
MW338.42 g/mol
LogP1.63
Rot. Bonds4

About N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 128980841) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID128980841
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)c1nccn2cnnc12
InChIInChI=1S/C18H22N6O/c1-22-10-11-25-15(16(22)14-6-4-3-5-7-14)12-23(2)17-18-21-20-13-24(18)9-8-19-17/h3-9,13,15-16H,10-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyUOLUHOPQEYVIRK-HOTGVXAUSA-N
XLogP1.63
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine 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

N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 128986917
6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid
CID 122057321
N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine
CID 128983342
[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 124832574
N-(2-bromoethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 80676331
N,2,4-trimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 128988754
N,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 132971950
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 128976699
N-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 102871523
N-[[(2R,3R)-1-methyl-2-phenylpiperidin-3-yl]methyl]imidazo[1,2-a]pyrazine-8-carboxamide
CID 97218788
N-[(1-methyl-2-phenylpiperidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide
CID 75374708
1-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 71926075

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 128980841) is N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)c1nccn2cnnc12.
What is the InChIKey of N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is UOLUHOPQEYVIRK-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H22N6O/c1-22-10-11-25-15(16(22)14-6-4-3-5-7-14)12-23(2)17-18-21-20-13-24(18)9-8-19-17/h3-9,13,15-16H,10-12H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 338.42 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 128980841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).