N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine

C15H27N5 — CID 103056905

IUPACN-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine
SMILESCCCNc1cnc(CN2CC(C)N(C)C(C)C2)cn1
InChIInChI=1S/C15H27N5/c1-5-6-16-15-8-17-14(7-18-15)11-20-9-12(2)19(4)13(3)10-20/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,16,18)
InChIKeyOSKCQGBASCQJRT-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.82
Rot. Bonds5

About N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine

N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine (PubChem CID 103056905) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine
PubChem CID103056905
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine
SMILESCCCNc1cnc(CN2CC(C)N(C)C(C)C2)cn1
InChIInChI=1S/C15H27N5/c1-5-6-16-15-8-17-14(7-18-15)11-20-9-12(2)19(4)13(3)10-20/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,16,18)
InChIKeyOSKCQGBASCQJRT-UHFFFAOYSA-N
XLogP1.82
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine?
The IUPAC name of N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine (CID 103056905) is N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine?
The canonical SMILES for N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine is CCCNc1cnc(CN2CC(C)N(C)C(C)C2)cn1.
What is the InChIKey of N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine?
The InChIKey is OSKCQGBASCQJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-6-16-15-8-17-14(7-18-15)11-20-9-12(2)19(4)13(3)10-20/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,16,18).
What are the key properties of N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine?
N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine has a molecular weight of 277.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 103056905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).