2,5-dimethyl-3-[4-[3-(4-methylpyrazol-1-yl)propyl]piperazin-1-yl]pyrazine

C17H26N6 — CID 91843312

IUPAC2,5-dimethyl-3-[4-[3-(4-methylpyrazol-1-yl)propyl]piperazin-1-yl]pyrazine
SMILESCc1cnn(CCCN2CCN(c3nc(C)cnc3C)CC2)c1
InChIInChI=1S/C17H26N6/c1-14-11-19-23(13-14)6-4-5-21-7-9-22(10-8-21)17-16(3)18-12-15(2)20-17/h11-13H,4-10H2,1-3H3
InChIKeyAKXKSSUTQVUOMD-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.81
Rot. Bonds5

About 2,5-dimethyl-3-[4-[3-(4-methylpyrazol-1-yl)propyl]piperazin-1-yl]pyrazine

2,5-dimethyl-3-[4-[3-(4-methylpyrazol-1-yl)propyl]piperazin-1-yl]pyrazine (PubChem CID 91843312) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2,5-dimethyl-3-[4-[3-(4-methylpyrazol-1-yl)propyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[4-[3-(4-methylpyrazol-1-yl)propyl]piperazin-1-yl]pyrazine
PubChem CID91843312
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name2,5-dimethyl-3-[4-[3-(4-methylpyrazol-1-yl)propyl]piperazin-1-yl]pyrazine
SMILESCc1cnn(CCCN2CCN(c3nc(C)cnc3C)CC2)c1
InChIInChI=1S/C17H26N6/c1-14-11-19-23(13-14)6-4-5-21-7-9-22(10-8-21)17-16(3)18-12-15(2)20-17/h11-13H,4-10H2,1-3H3
InChIKeyAKXKSSUTQVUOMD-UHFFFAOYSA-N
XLogP1.81
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[4-[3-(4-methylpyrazol-1-yl)propyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[4-[3-(4-methylpyrazol-1-yl)propyl]piperazin-1-yl]pyrazine (CID 91843312) is 2,5-dimethyl-3-[4-[3-(4-methylpyrazol-1-yl)propyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[4-[3-(4-methylpyrazol-1-yl)propyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[4-[3-(4-methylpyrazol-1-yl)propyl]piperazin-1-yl]pyrazine is Cc1cnn(CCCN2CCN(c3nc(C)cnc3C)CC2)c1.
What is the InChIKey of 2,5-dimethyl-3-[4-[3-(4-methylpyrazol-1-yl)propyl]piperazin-1-yl]pyrazine?
The InChIKey is AKXKSSUTQVUOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-14-11-19-23(13-14)6-4-5-21-7-9-22(10-8-21)17-16(3)18-12-15(2)20-17/h11-13H,4-10H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-[4-[3-(4-methylpyrazol-1-yl)propyl]piperazin-1-yl]pyrazine?
2,5-dimethyl-3-[4-[3-(4-methylpyrazol-1-yl)propyl]piperazin-1-yl]pyrazine has a molecular weight of 314.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[4-[3-(4-methylpyrazol-1-yl)propyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 91843312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).