1-methyl-5-piperazin-1-yl-2H-pyrazine

C9H16N4 — CID 173402728

IUPAC1-methyl-5-piperazin-1-yl-2H-pyrazine
SMILESCN1C=C(N2CCNCC2)N=CC1
InChIInChI=1S/C9H16N4/c1-12-5-4-11-9(8-12)13-6-2-10-3-7-13/h4,8,10H,2-3,5-7H2,1H3
InChIKeyZTHXUMBJTVZIIS-UHFFFAOYSA-N
MW180.25 g/mol
LogP-0.29
Rot. Bonds1

About 1-methyl-5-piperazin-1-yl-2H-pyrazine

1-methyl-5-piperazin-1-yl-2H-pyrazine (PubChem CID 173402728) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-5-piperazin-1-yl-2H-pyrazine.

Molecular Properties

Compound Name1-methyl-5-piperazin-1-yl-2H-pyrazine
PubChem CID173402728
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-methyl-5-piperazin-1-yl-2H-pyrazine
SMILESCN1C=C(N2CCNCC2)N=CC1
InChIInChI=1S/C9H16N4/c1-12-5-4-11-9(8-12)13-6-2-10-3-7-13/h4,8,10H,2-3,5-7H2,1H3
InChIKeyZTHXUMBJTVZIIS-UHFFFAOYSA-N
XLogP-0.29
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-piperazin-1-yl-2H-pyrazine?
The IUPAC name of 1-methyl-5-piperazin-1-yl-2H-pyrazine (CID 173402728) is 1-methyl-5-piperazin-1-yl-2H-pyrazine.
What is the SMILES notation for 1-methyl-5-piperazin-1-yl-2H-pyrazine?
The canonical SMILES for 1-methyl-5-piperazin-1-yl-2H-pyrazine is CN1C=C(N2CCNCC2)N=CC1.
What is the InChIKey of 1-methyl-5-piperazin-1-yl-2H-pyrazine?
The InChIKey is ZTHXUMBJTVZIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-5-4-11-9(8-12)13-6-2-10-3-7-13/h4,8,10H,2-3,5-7H2,1H3.
What are the key properties of 1-methyl-5-piperazin-1-yl-2H-pyrazine?
1-methyl-5-piperazin-1-yl-2H-pyrazine has a molecular weight of 180.25 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-piperazin-1-yl-2H-pyrazine is sourced from PubChem (CID 173402728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).