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

C17H21N5O — CID 119898795

IUPAC(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C17H21N5O/c23-17(14-8-4-5-9-18-14)21-10-11-22-15(12-21)19-20-16(22)13-6-2-1-3-7-13/h1-3,6-7,14,18H,4-5,8-12H2/t14-/m1/s1
InChIKeyVIKUHHYBATWBOS-CQSZACIVSA-N
MW311.39 g/mol
LogP1.43
Rot. Bonds2

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

(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(2R)-piperidin-2-yl]methanone (PubChem CID 119898795) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(2R)-piperidin-2-yl]methanone
PubChem CID119898795
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C17H21N5O/c23-17(14-8-4-5-9-18-14)21-10-11-22-15(12-21)19-20-16(22)13-6-2-1-3-7-13/h1-3,6-7,14,18H,4-5,8-12H2/t14-/m1/s1
InChIKeyVIKUHHYBATWBOS-CQSZACIVSA-N
XLogP1.43
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60937633
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl(piperidin-2-yl)methanone;dihydrochloride
CID 119874195
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[(2R)-piperidin-2-yl]methanone;dihydrochloride
CID 119874185
benzyl 3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 58417718
2-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 120704817
[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 119678305
(4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone
CID 60859991
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-2-ylmethanone
CID 60715502
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 103814195
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61163331
(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-thiophen-3-ylmethanone
CID 53193528

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(2R)-piperidin-2-yl]methanone (CID 119898795) is (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(2R)-piperidin-2-yl]methanone is O=C([C@H]1CCCCN1)N1CCn2c(nnc2-c2ccccc2)C1.
What is the InChIKey of (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(2R)-piperidin-2-yl]methanone?
The InChIKey is VIKUHHYBATWBOS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N5O/c23-17(14-8-4-5-9-18-14)21-10-11-22-15(12-21)19-20-16(22)13-6-2-1-3-7-13/h1-3,6-7,14,18H,4-5,8-12H2/t14-/m1/s1.
What are the key properties of (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(2R)-piperidin-2-yl]methanone?
(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(2R)-piperidin-2-yl]methanone has a molecular weight of 311.39 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 119898795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).