(3-methoxyphenyl)-[3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C18H23N5O2 — CID 95834008

IUPAC(3-methoxyphenyl)-[3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOc1cccc(C(=O)N2CCn3c(nnc3[C@@H]3CCCCN3)C2)c1
InChIInChI=1S/C18H23N5O2/c1-25-14-6-4-5-13(11-14)18(24)22-9-10-23-16(12-22)20-21-17(23)15-7-2-3-8-19-15/h4-6,11,15,19H,2-3,7-10,12H2,1H3/t15-/m0/s1
InChIKeyCBEIRBPJXMYREG-HNNXBMFYSA-N
MW341.41 g/mol
LogP1.76
Rot. Bonds3

About (3-methoxyphenyl)-[3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(3-methoxyphenyl)-[3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 95834008) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3-methoxyphenyl)-[3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID95834008
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name(3-methoxyphenyl)-[3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOc1cccc(C(=O)N2CCn3c(nnc3[C@@H]3CCCCN3)C2)c1
InChIInChI=1S/C18H23N5O2/c1-25-14-6-4-5-13(11-14)18(24)22-9-10-23-16(12-22)20-21-17(23)15-7-2-3-8-19-15/h4-6,11,15,19H,2-3,7-10,12H2,1H3/t15-/m0/s1
InChIKeyCBEIRBPJXMYREG-HNNXBMFYSA-N
XLogP1.76
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)-1-[3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 95834013
(3-methoxyphenyl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53193618
(3-methoxyphenyl)-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)piperidin-1-yl]methanone
CID 92623960
(3-methoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methanone
CID 92622317
(3-methoxyphenyl)-[3-[(2R)-1-methylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methanone
CID 92622318
cyclohexyl-[3-[(2R)-pyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 124968988
3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3-methoxyphenyl)methanone
CID 110872433
7-[(3-cyclopentyloxyphenyl)methyl]-3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 95834003
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82244663
7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 134792593
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 95834008) is (3-methoxyphenyl)-[3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is COc1cccc(C(=O)N2CCn3c(nnc3[C@@H]3CCCCN3)C2)c1.
What is the InChIKey of (3-methoxyphenyl)-[3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is CBEIRBPJXMYREG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-25-14-6-4-5-13(11-14)18(24)22-9-10-23-16(12-22)20-21-17(23)15-7-2-3-8-19-15/h4-6,11,15,19H,2-3,7-10,12H2,1H3/t15-/m0/s1.
What are the key properties of (3-methoxyphenyl)-[3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(3-methoxyphenyl)-[3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 95834008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).