2-methyl-5-[4-(2,2,4-trimethylpentyl)piperazin-1-yl]pyrazine

C17H30N4 — CID 142390525

IUPAC2-methyl-5-[4-(2,2,4-trimethylpentyl)piperazin-1-yl]pyrazine
SMILESCc1cnc(N2CCN(CC(C)(C)CC(C)C)CC2)cn1
InChIInChI=1S/C17H30N4/c1-14(2)10-17(4,5)13-20-6-8-21(9-7-20)16-12-18-15(3)11-19-16/h11-12,14H,6-10,13H2,1-5H3
InChIKeyLCYQXDYHNRDFKE-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.98
Rot. Bonds5

About 2-methyl-5-[4-(2,2,4-trimethylpentyl)piperazin-1-yl]pyrazine

2-methyl-5-[4-(2,2,4-trimethylpentyl)piperazin-1-yl]pyrazine (PubChem CID 142390525) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-methyl-5-[4-(2,2,4-trimethylpentyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-methyl-5-[4-(2,2,4-trimethylpentyl)piperazin-1-yl]pyrazine
PubChem CID142390525
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-methyl-5-[4-(2,2,4-trimethylpentyl)piperazin-1-yl]pyrazine
SMILESCc1cnc(N2CCN(CC(C)(C)CC(C)C)CC2)cn1
InChIInChI=1S/C17H30N4/c1-14(2)10-17(4,5)13-20-6-8-21(9-7-20)16-12-18-15(3)11-19-16/h11-12,14H,6-10,13H2,1-5H3
InChIKeyLCYQXDYHNRDFKE-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine
CID 149478332
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
CID 67976848
(2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol
CID 136583777
ethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine
CID 145194127
ethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine
CID 144954602
1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine
CID 142367845
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 63237417
1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine
CID 115773841
4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine
CID 79176141
2-methyl-N-[[5-(4-propylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107378980
3-[4-(5-amino-4-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropanal
CID 87698856
2-(4-propan-2-ylpiperazin-1-yl)-5-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrazine
CID 58006688

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(2,2,4-trimethylpentyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-methyl-5-[4-(2,2,4-trimethylpentyl)piperazin-1-yl]pyrazine (CID 142390525) is 2-methyl-5-[4-(2,2,4-trimethylpentyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-methyl-5-[4-(2,2,4-trimethylpentyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-methyl-5-[4-(2,2,4-trimethylpentyl)piperazin-1-yl]pyrazine is Cc1cnc(N2CCN(CC(C)(C)CC(C)C)CC2)cn1.
What is the InChIKey of 2-methyl-5-[4-(2,2,4-trimethylpentyl)piperazin-1-yl]pyrazine?
The InChIKey is LCYQXDYHNRDFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-14(2)10-17(4,5)13-20-6-8-21(9-7-20)16-12-18-15(3)11-19-16/h11-12,14H,6-10,13H2,1-5H3.
What are the key properties of 2-methyl-5-[4-(2,2,4-trimethylpentyl)piperazin-1-yl]pyrazine?
2-methyl-5-[4-(2,2,4-trimethylpentyl)piperazin-1-yl]pyrazine has a molecular weight of 290.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(2,2,4-trimethylpentyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 142390525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).