1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]-2-[(2S)-oxan-2-yl]ethanone

C17H24N6O2 — CID 129342151

IUPAC1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]-2-[(2S)-oxan-2-yl]ethanone
SMILESCc1nc2cncc(N3CCN(C(=O)C[C@@H]4CCCCO4)CC3)n2n1
InChIInChI=1S/C17H24N6O2/c1-13-19-15-11-18-12-16(23(15)20-13)21-5-7-22(8-6-21)17(24)10-14-4-2-3-9-25-14/h11-12,14H,2-10H2,1H3/t14-/m0/s1
InChIKeySIWFARSVVVVRRX-AWEZNQCLSA-N
MW344.42 g/mol
LogP1.04
Rot. Bonds3

About 1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]-2-[(2S)-oxan-2-yl]ethanone

1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]-2-[(2S)-oxan-2-yl]ethanone (PubChem CID 129342151) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]-2-[(2S)-oxan-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]-2-[(2S)-oxan-2-yl]ethanone
PubChem CID129342151
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]-2-[(2S)-oxan-2-yl]ethanone
SMILESCc1nc2cncc(N3CCN(C(=O)C[C@@H]4CCCCO4)CC3)n2n1
InChIInChI=1S/C17H24N6O2/c1-13-19-15-11-18-12-16(23(15)20-13)21-5-7-22(8-6-21)17(24)10-14-4-2-3-9-25-14/h11-12,14H,2-10H2,1H3/t14-/m0/s1
InChIKeySIWFARSVVVVRRX-AWEZNQCLSA-N
XLogP1.04
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2R)-oxan-2-yl]-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]ethanone
CID 129474593
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110610747
3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one
CID 129002349
N-[(1R)-cyclohex-2-en-1-yl]-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide
CID 129342255
(3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone
CID 129007924
4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 128969218
4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 129002357
1-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 170221716
1-[4-(3-methylbenzoyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110632671
1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 126910018
2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone
CID 126894160
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 107109025

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]-2-[(2S)-oxan-2-yl]ethanone?
The IUPAC name of 1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]-2-[(2S)-oxan-2-yl]ethanone (CID 129342151) is 1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]-2-[(2S)-oxan-2-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]-2-[(2S)-oxan-2-yl]ethanone?
The canonical SMILES for 1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]-2-[(2S)-oxan-2-yl]ethanone is Cc1nc2cncc(N3CCN(C(=O)C[C@@H]4CCCCO4)CC3)n2n1.
What is the InChIKey of 1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]-2-[(2S)-oxan-2-yl]ethanone?
The InChIKey is SIWFARSVVVVRRX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-13-19-15-11-18-12-16(23(15)20-13)21-5-7-22(8-6-21)17(24)10-14-4-2-3-9-25-14/h11-12,14H,2-10H2,1H3/t14-/m0/s1.
What are the key properties of 1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]-2-[(2S)-oxan-2-yl]ethanone?
1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]-2-[(2S)-oxan-2-yl]ethanone has a molecular weight of 344.42 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]-2-[(2S)-oxan-2-yl]ethanone is sourced from PubChem (CID 129342151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).