[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone

C18H22N6O2 — CID 154768138

IUPAC[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone
SMILESCc1nc2c(C(=O)N3Cc4nnc(C)n4CC3CN(C)C)cccc2o1
InChIInChI=1S/C18H22N6O2/c1-11-20-21-16-10-24(13(8-22(3)4)9-23(11)16)18(25)14-6-5-7-15-17(14)19-12(2)26-15/h5-7,13H,8-10H2,1-4H3
InChIKeyBLOIOELLKCYUGY-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.62
Rot. Bonds3

About [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone

[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone (PubChem CID 154768138) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone.

Molecular Properties

Compound Name[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone
PubChem CID154768138
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone
SMILESCc1nc2c(C(=O)N3Cc4nnc(C)n4CC3CN(C)C)cccc2o1
InChIInChI=1S/C18H22N6O2/c1-11-20-21-16-10-24(13(8-22(3)4)9-23(11)16)18(25)14-6-5-7-15-17(14)19-12(2)26-15/h5-7,13H,8-10H2,1-4H3
InChIKeyBLOIOELLKCYUGY-UHFFFAOYSA-N
XLogP1.62
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone 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

2-(4-cyclopropylpyrazol-1-yl)-1-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 167955628
1-(2-methyl-1,3-benzoxazol-4-yl)ethanone
CID 59626054
[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone
CID 167752603
methyl 2-methyl-1,3-benzoxazole-4-carboxylate
CID 14616762
[3-[(dimethylamino)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone;dihydrochloride
CID 118742107
ethyl 2-[tert-butyl-(2-methyl-1,3-benzoxazole-4-carbonyl)amino]acetate
CID 122150488
[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone;thiophene
CID 142015525
[6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 131695062
(2-methyl-1,3-benzoxazol-4-yl)methanol;methyl 2-methyl-1,3-benzoxazole-4-carboxylate
CID 158641727
[(1S,3S)-1-ethoxyspiro[3.3]heptan-3-yl] 2-methyl-1,3-benzoxazole-4-carboxylate
CID 100612874
(2-methyl-1,3-benzoxazol-4-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 122144201
N-(2-iodo-1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-benzoxazole-4-carboxamide
CID 69177534

Frequently Asked Questions

What is the IUPAC name of [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone?
The IUPAC name of [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone (CID 154768138) is [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone.
What is the SMILES notation for [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone?
The canonical SMILES for [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone is Cc1nc2c(C(=O)N3Cc4nnc(C)n4CC3CN(C)C)cccc2o1.
What is the InChIKey of [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone?
The InChIKey is BLOIOELLKCYUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-11-20-21-16-10-24(13(8-22(3)4)9-23(11)16)18(25)14-6-5-7-15-17(14)19-12(2)26-15/h5-7,13H,8-10H2,1-4H3.
What are the key properties of [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone?
[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone has a molecular weight of 354.41 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone is sourced from PubChem (CID 154768138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).