6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one

C19H20N6O2 — CID 125437684

IUPAC6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one
SMILESCc1nc([C@@H]2CCCN(C(=O)c3cccc(-c4cncc(=O)[nH]4)c3)C2)n[nH]1
InChIInChI=1S/C19H20N6O2/c1-12-21-18(24-23-12)15-6-3-7-25(11-15)19(27)14-5-2-4-13(8-14)16-9-20-10-17(26)22-16/h2,4-5,8-10,15H,3,6-7,11H2,1H3,(H,22,26)(H,21,23,24)/t15-/m1/s1
InChIKeyJLZBXKWYLOWGLE-OAHLLOKOSA-N
MW364.41 g/mol
LogP1.88
Rot. Bonds3

About 6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one

6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one (PubChem CID 125437684) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one
PubChem CID125437684
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one
SMILESCc1nc([C@@H]2CCCN(C(=O)c3cccc(-c4cncc(=O)[nH]4)c3)C2)n[nH]1
InChIInChI=1S/C19H20N6O2/c1-12-21-18(24-23-12)15-6-3-7-25(11-15)19(27)14-5-2-4-13(8-14)16-9-20-10-17(26)22-16/h2,4-5,8-10,15H,3,6-7,11H2,1H3,(H,22,26)(H,21,23,24)/t15-/m1/s1
InChIKeyJLZBXKWYLOWGLE-OAHLLOKOSA-N
XLogP1.88
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one
CID 125439162
2-methyl-6-[4-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one
CID 125446950
(2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 71917923
(5-bromothiophen-3-yl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 127476732
[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
CID 154842099
(3-hydroxy-4-methylphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 128740804
3,4-dihydro-1H-isochromen-6-yl-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 166244317
[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 53192223
6-[4-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl]phenyl]-1H-pyrazin-2-one
CID 122561500
(6-fluoro-1H-benzimidazol-2-yl)-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 99932216
[2-(dimethylamino)phenyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86284052
(2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124996331

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one?
The IUPAC name of 6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one (CID 125437684) is 6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one.
What is the SMILES notation for 6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one?
The canonical SMILES for 6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one is Cc1nc([C@@H]2CCCN(C(=O)c3cccc(-c4cncc(=O)[nH]4)c3)C2)n[nH]1.
What is the InChIKey of 6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one?
The InChIKey is JLZBXKWYLOWGLE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12-21-18(24-23-12)15-6-3-7-25(11-15)19(27)14-5-2-4-13(8-14)16-9-20-10-17(26)22-16/h2,4-5,8-10,15H,3,6-7,11H2,1H3,(H,22,26)(H,21,23,24)/t15-/m1/s1.
What are the key properties of 6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one?
6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one has a molecular weight of 364.41 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one is sourced from PubChem (CID 125437684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).