(1Z,3Z)-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine

C8H17N5 — CID 126661548

IUPAC(1Z,3Z)-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine
SMILESN/C=C\C(N)=C(/N)N1CCNCC1
InChIInChI=1S/C8H17N5/c9-2-1-7(10)8(11)13-5-3-12-4-6-13/h1-2,12H,3-6,9-11H2/b2-1-,8-7-
InChIKeyYQXGEIGKCWODKA-QGTKBVGQSA-N
MW183.26 g/mol
LogP-1.55
Rot. Bonds2

About (1Z,3Z)-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine

(1Z,3Z)-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine (PubChem CID 126661548) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is (1Z,3Z)-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine.

Molecular Properties

Compound Name(1Z,3Z)-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine
PubChem CID126661548
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name(1Z,3Z)-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine
SMILESN/C=C\C(N)=C(/N)N1CCNCC1
InChIInChI=1S/C8H17N5/c9-2-1-7(10)8(11)13-5-3-12-4-6-13/h1-2,12H,3-6,9-11H2/b2-1-,8-7-
InChIKeyYQXGEIGKCWODKA-QGTKBVGQSA-N
XLogP-1.55
TPSA93.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine?
The IUPAC name of (1Z,3Z)-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine (CID 126661548) is (1Z,3Z)-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine.
What is the SMILES notation for (1Z,3Z)-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine?
The canonical SMILES for (1Z,3Z)-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine is N/C=C\C(N)=C(/N)N1CCNCC1.
What is the InChIKey of (1Z,3Z)-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine?
The InChIKey is YQXGEIGKCWODKA-QGTKBVGQSA-N. The full InChI is InChI=1S/C8H17N5/c9-2-1-7(10)8(11)13-5-3-12-4-6-13/h1-2,12H,3-6,9-11H2/b2-1-,8-7-.
What are the key properties of (1Z,3Z)-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine?
(1Z,3Z)-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine has a molecular weight of 183.26 g/mol, XLogP of -1.55, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine is sourced from PubChem (CID 126661548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).