(5-piperazin-1-ylpyrazin-2-yl)methanediamine

C9H16N6 — CID 91444218

IUPAC(5-piperazin-1-ylpyrazin-2-yl)methanediamine
SMILESNC(N)c1cnc(N2CCNCC2)cn1
InChIInChI=1S/C9H16N6/c10-9(11)7-5-14-8(6-13-7)15-3-1-12-2-4-15/h5-6,9,12H,1-4,10-11H2
InChIKeyPTKIZADTKTYKTC-UHFFFAOYSA-N
MW208.27 g/mol
LogP-1.20
Rot. Bonds2

About (5-piperazin-1-ylpyrazin-2-yl)methanediamine

(5-piperazin-1-ylpyrazin-2-yl)methanediamine (PubChem CID 91444218) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is (5-piperazin-1-ylpyrazin-2-yl)methanediamine.

Molecular Properties

Compound Name(5-piperazin-1-ylpyrazin-2-yl)methanediamine
PubChem CID91444218
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name(5-piperazin-1-ylpyrazin-2-yl)methanediamine
SMILESNC(N)c1cnc(N2CCNCC2)cn1
InChIInChI=1S/C9H16N6/c10-9(11)7-5-14-8(6-13-7)15-3-1-12-2-4-15/h5-6,9,12H,1-4,10-11H2
InChIKeyPTKIZADTKTYKTC-UHFFFAOYSA-N
XLogP-1.20
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-piperazin-1-ylpyrazin-2-yl)methanediamine?
The IUPAC name of (5-piperazin-1-ylpyrazin-2-yl)methanediamine (CID 91444218) is (5-piperazin-1-ylpyrazin-2-yl)methanediamine.
What is the SMILES notation for (5-piperazin-1-ylpyrazin-2-yl)methanediamine?
The canonical SMILES for (5-piperazin-1-ylpyrazin-2-yl)methanediamine is NC(N)c1cnc(N2CCNCC2)cn1.
What is the InChIKey of (5-piperazin-1-ylpyrazin-2-yl)methanediamine?
The InChIKey is PTKIZADTKTYKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c10-9(11)7-5-14-8(6-13-7)15-3-1-12-2-4-15/h5-6,9,12H,1-4,10-11H2.
What are the key properties of (5-piperazin-1-ylpyrazin-2-yl)methanediamine?
(5-piperazin-1-ylpyrazin-2-yl)methanediamine has a molecular weight of 208.27 g/mol, XLogP of -1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-piperazin-1-ylpyrazin-2-yl)methanediamine is sourced from PubChem (CID 91444218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).