2-piperazin-1-ylethanamine;2-(2H-pyrazin-1-yl)ethanamine

C12H26N6 — CID 159872000

IUPAC2-piperazin-1-ylethanamine;2-(2H-pyrazin-1-yl)ethanamine
SMILESNCCN1C=CN=CC1.NCCN1CCNCC1
InChIInChI=1S/C6H15N3.C6H11N3/c2*7-1-4-9-5-2-8-3-6-9/h8H,1-7H2;2-3,5H,1,4,6-7H2
InChIKeyNSLXIWCTTLZDCL-UHFFFAOYSA-N
MW254.38 g/mol
LogP-1.35
Rot. Bonds4

About 2-piperazin-1-ylethanamine;2-(2H-pyrazin-1-yl)ethanamine

2-piperazin-1-ylethanamine;2-(2H-pyrazin-1-yl)ethanamine (PubChem CID 159872000) has the molecular formula C12H26N6 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-piperazin-1-ylethanamine;2-(2H-pyrazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-piperazin-1-ylethanamine;2-(2H-pyrazin-1-yl)ethanamine
PubChem CID159872000
Molecular FormulaC12H26N6
Molecular Weight254.38 g/mol
Exact Mass254.22
IUPAC Name2-piperazin-1-ylethanamine;2-(2H-pyrazin-1-yl)ethanamine
SMILESNCCN1C=CN=CC1.NCCN1CCNCC1
InChIInChI=1S/C6H15N3.C6H11N3/c2*7-1-4-9-5-2-8-3-6-9/h8H,1-7H2;2-3,5H,1,4,6-7H2
InChIKeyNSLXIWCTTLZDCL-UHFFFAOYSA-N
XLogP-1.35
TPSA82.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylethanamine;2-(2H-pyrazin-1-yl)ethanamine?
The IUPAC name of 2-piperazin-1-ylethanamine;2-(2H-pyrazin-1-yl)ethanamine (CID 159872000) is 2-piperazin-1-ylethanamine;2-(2H-pyrazin-1-yl)ethanamine.
What is the SMILES notation for 2-piperazin-1-ylethanamine;2-(2H-pyrazin-1-yl)ethanamine?
The canonical SMILES for 2-piperazin-1-ylethanamine;2-(2H-pyrazin-1-yl)ethanamine is NCCN1C=CN=CC1.NCCN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylethanamine;2-(2H-pyrazin-1-yl)ethanamine?
The InChIKey is NSLXIWCTTLZDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3.C6H11N3/c2*7-1-4-9-5-2-8-3-6-9/h8H,1-7H2;2-3,5H,1,4,6-7H2.
What are the key properties of 2-piperazin-1-ylethanamine;2-(2H-pyrazin-1-yl)ethanamine?
2-piperazin-1-ylethanamine;2-(2H-pyrazin-1-yl)ethanamine has a molecular weight of 254.38 g/mol, XLogP of -1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylethanamine;2-(2H-pyrazin-1-yl)ethanamine is sourced from PubChem (CID 159872000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).