3-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde

C10H14N4O — CID 86082560

IUPAC3-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde
SMILESCN1CCN(c2nccnc2C=O)CC1
InChIInChI=1S/C10H14N4O/c1-13-4-6-14(7-5-13)10-9(8-15)11-2-3-12-10/h2-3,8H,4-7H2,1H3
InChIKeyCLOBFHXQROYCFN-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.04
Rot. Bonds2

About 3-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde

3-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde (PubChem CID 86082560) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde
PubChem CID86082560
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde
SMILESCN1CCN(c2nccnc2C=O)CC1
InChIInChI=1S/C10H14N4O/c1-13-4-6-14(7-5-13)10-9(8-15)11-2-3-12-10/h2-3,8H,4-7H2,1H3
InChIKeyCLOBFHXQROYCFN-UHFFFAOYSA-N
XLogP0.04
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde?
The IUPAC name of 3-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde (CID 86082560) is 3-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde is CN1CCN(c2nccnc2C=O)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde?
The InChIKey is CLOBFHXQROYCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-13-4-6-14(7-5-13)10-9(8-15)11-2-3-12-10/h2-3,8H,4-7H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde?
3-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde has a molecular weight of 206.25 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde is sourced from PubChem (CID 86082560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).