6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde

C10H13ClN4O — CID 123546066

IUPAC6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde
SMILESCN1CCN(c2ncc(C=O)nc2Cl)CC1
InChIInChI=1S/C10H13ClN4O/c1-14-2-4-15(5-3-14)10-9(11)13-8(7-16)6-12-10/h6-7H,2-5H2,1H3
InChIKeyWRPVYUXEYZYNTB-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.69
Rot. Bonds2

About 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde

6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde (PubChem CID 123546066) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde
PubChem CID123546066
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde
SMILESCN1CCN(c2ncc(C=O)nc2Cl)CC1
InChIInChI=1S/C10H13ClN4O/c1-14-2-4-15(5-3-14)10-9(11)13-8(7-16)6-12-10/h6-7H,2-5H2,1H3
InChIKeyWRPVYUXEYZYNTB-UHFFFAOYSA-N
XLogP0.69
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.69
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 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde?
The IUPAC name of 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde (CID 123546066) is 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde.
What is the SMILES notation for 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde?
The canonical SMILES for 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde is CN1CCN(c2ncc(C=O)nc2Cl)CC1.
What is the InChIKey of 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde?
The InChIKey is WRPVYUXEYZYNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-14-2-4-15(5-3-14)10-9(11)13-8(7-16)6-12-10/h6-7H,2-5H2,1H3.
What are the key properties of 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde?
6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde has a molecular weight of 240.69 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbaldehyde is sourced from PubChem (CID 123546066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).