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

C19H25N5O2 — CID 95834013

IUPAC2-(3-methoxyphenyl)-1-[3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CCn3c(nnc3[C@H]3CCCCN3)C2)c1
InChIInChI=1S/C19H25N5O2/c1-26-15-6-4-5-14(11-15)12-18(25)23-9-10-24-17(13-23)21-22-19(24)16-7-2-3-8-20-16/h4-6,11,16,20H,2-3,7-10,12-13H2,1H3/t16-/m1/s1
InChIKeyQBQGJFIIPBIONI-MRXNPFEDSA-N
MW355.44 g/mol
LogP1.69
Rot. Bonds4

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

2-(3-methoxyphenyl)-1-[3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (PubChem CID 95834013) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-[3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-[3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
PubChem CID95834013
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-(3-methoxyphenyl)-1-[3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CCn3c(nnc3[C@H]3CCCCN3)C2)c1
InChIInChI=1S/C19H25N5O2/c1-26-15-6-4-5-14(11-15)12-18(25)23-9-10-24-17(13-23)21-22-19(24)16-7-2-3-8-20-16/h4-6,11,16,20H,2-3,7-10,12-13H2,1H3/t16-/m1/s1
InChIKeyQBQGJFIIPBIONI-MRXNPFEDSA-N
XLogP1.69
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methoxyphenyl)-[3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 95834008
7-[(3-cyclopentyloxyphenyl)methyl]-3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 95834003
3-(2-methylphenoxy)-1-(3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 110263596
2-(3-methoxyphenyl)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92599423
1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-hydroxyphenyl)ethanone
CID 126470032
2-(3-methoxyphenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 119999768
1-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-(3-methoxyphenyl)ethanone
CID 102680378
cyclohexyl-[3-[(2R)-pyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 124968988
N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811015
1-[3-[7-[(3-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone
CID 110262100
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]ethanone
CID 94811563
1-[3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone
CID 92623765

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-[3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The IUPAC name of 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) is 2-(3-methoxyphenyl)-1-[3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-[3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-[3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is COc1cccc(CC(=O)N2CCn3c(nnc3[C@H]3CCCCN3)C2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-[3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The InChIKey is QBQGJFIIPBIONI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-26-15-6-4-5-14(11-15)12-18(25)23-9-10-24-17(13-23)21-22-19(24)16-7-2-3-8-20-16/h4-6,11,16,20H,2-3,7-10,12-13H2,1H3/t16-/m1/s1.
What are the key properties of 2-(3-methoxyphenyl)-1-[3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
2-(3-methoxyphenyl)-1-[3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone has a molecular weight of 355.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-[3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 95834013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).