2-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methylpyrazine

C17H26N6 — CID 133470378

IUPAC2-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methylpyrazine
SMILESCc1cncc(N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)n1
InChIInChI=1S/C17H26N6/c1-14-9-18-11-16(20-14)22-7-5-21(6-8-22)12-15-10-19-23(13-15)17(2,3)4/h9-11,13H,5-8,12H2,1-4H3
InChIKeyGQQDARDCEXGLSU-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.06
Rot. Bonds3

About 2-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methylpyrazine

2-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methylpyrazine (PubChem CID 133470378) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methylpyrazine.

Molecular Properties

Compound Name2-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methylpyrazine
PubChem CID133470378
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name2-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methylpyrazine
SMILESCc1cncc(N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)n1
InChIInChI=1S/C17H26N6/c1-14-9-18-11-16(20-14)22-7-5-21(6-8-22)12-15-10-19-23(13-15)17(2,3)4/h9-11,13H,5-8,12H2,1-4H3
InChIKeyGQQDARDCEXGLSU-UHFFFAOYSA-N
XLogP2.06
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methylpyrazine?
The IUPAC name of 2-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methylpyrazine (CID 133470378) is 2-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methylpyrazine.
What is the SMILES notation for 2-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methylpyrazine?
The canonical SMILES for 2-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methylpyrazine is Cc1cncc(N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)n1.
What is the InChIKey of 2-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methylpyrazine?
The InChIKey is GQQDARDCEXGLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-14-9-18-11-16(20-14)22-7-5-21(6-8-22)12-15-10-19-23(13-15)17(2,3)4/h9-11,13H,5-8,12H2,1-4H3.
What are the key properties of 2-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methylpyrazine?
2-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methylpyrazine has a molecular weight of 314.44 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methylpyrazine is sourced from PubChem (CID 133470378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).