N-(3-benzoylphenyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C20H19N5O2 — CID 136525083

IUPACN-(3-benzoylphenyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCc1nnc2n1CCN(C(=O)Nc1cccc(C(=O)c3ccccc3)c1)C2
InChIInChI=1S/C20H19N5O2/c1-14-22-23-18-13-24(10-11-25(14)18)20(27)21-17-9-5-8-16(12-17)19(26)15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3,(H,21,27)
InChIKeyWSOWXJZHJIFHAP-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.87
Rot. Bonds3

About N-(3-benzoylphenyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

N-(3-benzoylphenyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 136525083) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(3-benzoylphenyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3-benzoylphenyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID136525083
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-(3-benzoylphenyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCc1nnc2n1CCN(C(=O)Nc1cccc(C(=O)c3ccccc3)c1)C2
InChIInChI=1S/C20H19N5O2/c1-14-22-23-18-13-24(10-11-25(14)18)20(27)21-17-9-5-8-16(12-17)19(26)15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3,(H,21,27)
InChIKeyWSOWXJZHJIFHAP-UHFFFAOYSA-N
XLogP2.87
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-benzoylphenyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 134791783
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 167875924
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
CID 2955113
1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-(3-methylphenyl)pentane-1,5-dione
CID 159069833
(2-bromophenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 110722406
3H-benzimidazol-5-yl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 110743606
2-(2-chlorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 110722467
(E)-4-(3-benzoylanilino)pent-3-en-2-one
CID 5394267
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61192662
[3-(methylamino)phenyl]-phenylmethanone
CID 19894083
4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide
CID 110637812

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoylphenyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of N-(3-benzoylphenyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 136525083) is N-(3-benzoylphenyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3-benzoylphenyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for N-(3-benzoylphenyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is Cc1nnc2n1CCN(C(=O)Nc1cccc(C(=O)c3ccccc3)c1)C2.
What is the InChIKey of N-(3-benzoylphenyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is WSOWXJZHJIFHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14-22-23-18-13-24(10-11-25(14)18)20(27)21-17-9-5-8-16(12-17)19(26)15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3,(H,21,27).
What are the key properties of N-(3-benzoylphenyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
N-(3-benzoylphenyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoylphenyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 136525083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).