N-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine

C13H23N5 — CID 66456780

IUPACN-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine
SMILESCCCN1CCN(c2cncc(CNC)n2)CC1
InChIInChI=1S/C13H23N5/c1-3-4-17-5-7-18(8-6-17)13-11-15-10-12(16-13)9-14-2/h10-11,14H,3-9H2,1-2H3
InChIKeyOXWRRQICTJTNIC-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.73
Rot. Bonds5

About N-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine

N-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine (PubChem CID 66456780) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine
PubChem CID66456780
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine
SMILESCCCN1CCN(c2cncc(CNC)n2)CC1
InChIInChI=1S/C13H23N5/c1-3-4-17-5-7-18(8-6-17)13-11-15-10-12(16-13)9-14-2/h10-11,14H,3-9H2,1-2H3
InChIKeyOXWRRQICTJTNIC-UHFFFAOYSA-N
XLogP0.73
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine (CID 66456780) is N-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine is CCCN1CCN(c2cncc(CNC)n2)CC1.
What is the InChIKey of N-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine?
The InChIKey is OXWRRQICTJTNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-4-17-5-7-18(8-6-17)13-11-15-10-12(16-13)9-14-2/h10-11,14H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine?
N-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 66456780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).