6-chloro-5-(4-methylpiperazin-1-yl)-1,2-dihydropyrazine

C9H15ClN4 — CID 126561330

IUPAC6-chloro-5-(4-methylpiperazin-1-yl)-1,2-dihydropyrazine
SMILESCN1CCN(C2=C(Cl)NCC=N2)CC1
InChIInChI=1S/C9H15ClN4/c1-13-4-6-14(7-5-13)9-8(10)11-2-3-12-9/h3,11H,2,4-7H2,1H3
InChIKeyMITTVJUKSNWIOW-UHFFFAOYSA-N
MW214.70 g/mol
LogP0.27
Rot. Bonds1

About 6-chloro-5-(4-methylpiperazin-1-yl)-1,2-dihydropyrazine

6-chloro-5-(4-methylpiperazin-1-yl)-1,2-dihydropyrazine (PubChem CID 126561330) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is 6-chloro-5-(4-methylpiperazin-1-yl)-1,2-dihydropyrazine.

Molecular Properties

Compound Name6-chloro-5-(4-methylpiperazin-1-yl)-1,2-dihydropyrazine
PubChem CID126561330
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC Name6-chloro-5-(4-methylpiperazin-1-yl)-1,2-dihydropyrazine
SMILESCN1CCN(C2=C(Cl)NCC=N2)CC1
InChIInChI=1S/C9H15ClN4/c1-13-4-6-14(7-5-13)9-8(10)11-2-3-12-9/h3,11H,2,4-7H2,1H3
InChIKeyMITTVJUKSNWIOW-UHFFFAOYSA-N
XLogP0.27
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(4-methylpiperazin-1-yl)-1,2-dihydropyrazine?
The IUPAC name of 6-chloro-5-(4-methylpiperazin-1-yl)-1,2-dihydropyrazine (CID 126561330) is 6-chloro-5-(4-methylpiperazin-1-yl)-1,2-dihydropyrazine.
What is the SMILES notation for 6-chloro-5-(4-methylpiperazin-1-yl)-1,2-dihydropyrazine?
The canonical SMILES for 6-chloro-5-(4-methylpiperazin-1-yl)-1,2-dihydropyrazine is CN1CCN(C2=C(Cl)NCC=N2)CC1.
What is the InChIKey of 6-chloro-5-(4-methylpiperazin-1-yl)-1,2-dihydropyrazine?
The InChIKey is MITTVJUKSNWIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-13-4-6-14(7-5-13)9-8(10)11-2-3-12-9/h3,11H,2,4-7H2,1H3.
What are the key properties of 6-chloro-5-(4-methylpiperazin-1-yl)-1,2-dihydropyrazine?
6-chloro-5-(4-methylpiperazin-1-yl)-1,2-dihydropyrazine has a molecular weight of 214.70 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(4-methylpiperazin-1-yl)-1,2-dihydropyrazine is sourced from PubChem (CID 126561330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).