(2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one

C17H20N6O — CID 95302823

IUPAC(2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
SMILESCCc1nnc2n1CCN(C(=O)[C@@H](C)n1cnc3ccccc31)C2
InChIInChI=1S/C17H20N6O/c1-3-15-19-20-16-10-21(8-9-22(15)16)17(24)12(2)23-11-18-13-6-4-5-7-14(13)23/h4-7,11-12H,3,8-10H2,1-2H3/t12-/m1/s1
InChIKeyZZNMZPGMCWLLGI-GFCCVEGCSA-N
MW324.39 g/mol
LogP1.79
Rot. Bonds3

About (2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one

(2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one (PubChem CID 95302823) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is (2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
PubChem CID95302823
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name(2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
SMILESCCc1nnc2n1CCN(C(=O)[C@@H](C)n1cnc3ccccc31)C2
InChIInChI=1S/C17H20N6O/c1-3-15-19-20-16-10-21(8-9-22(15)16)17(24)12(2)23-11-18-13-6-4-5-7-14(13)23/h4-7,11-12H,3,8-10H2,1-2H3/t12-/m1/s1
InChIKeyZZNMZPGMCWLLGI-GFCCVEGCSA-N
XLogP1.79
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one 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

(2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one
CID 95585308
tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate
CID 42959413
2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918614
2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 46430300
2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43502685
(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one
CID 129399575
1-[2-(benzimidazol-1-yl)propanoyl]-1,4-diazepan-5-one
CID 62046817
(2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide
CID 39115835
2-[4-[2-(benzimidazol-1-yl)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 46605644
(2S)-2-(benzimidazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 95707820
7-[2-(benzimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135990723
2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 43070696

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one?
The IUPAC name of (2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one (CID 95302823) is (2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one?
The canonical SMILES for (2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one is CCc1nnc2n1CCN(C(=O)[C@@H](C)n1cnc3ccccc31)C2.
What is the InChIKey of (2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one?
The InChIKey is ZZNMZPGMCWLLGI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N6O/c1-3-15-19-20-16-10-21(8-9-22(15)16)17(24)12(2)23-11-18-13-6-4-5-7-14(13)23/h4-7,11-12H,3,8-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one?
(2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one has a molecular weight of 324.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one is sourced from PubChem (CID 95302823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).