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

C9H19N5 — CID 126661889

IUPAC(1Z,3Z)-2-N-methyl-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine
SMILESCNC(/C=C\N)=C(/N)N1CCNCC1
InChIInChI=1S/C9H19N5/c1-12-8(2-3-10)9(11)14-6-4-13-5-7-14/h2-3,12-13H,4-7,10-11H2,1H3/b3-2-,9-8-
InChIKeyWJTOWYBZVZKQOZ-FUOWLQLWSA-N
MW197.29 g/mol
LogP-1.29
Rot. Bonds3

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

(1Z,3Z)-2-N-methyl-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine (PubChem CID 126661889) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is (1Z,3Z)-2-N-methyl-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine.

Molecular Properties

Compound Name(1Z,3Z)-2-N-methyl-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine
PubChem CID126661889
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name(1Z,3Z)-2-N-methyl-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine
SMILESCNC(/C=C\N)=C(/N)N1CCNCC1
InChIInChI=1S/C9H19N5/c1-12-8(2-3-10)9(11)14-6-4-13-5-7-14/h2-3,12-13H,4-7,10-11H2,1H3/b3-2-,9-8-
InChIKeyWJTOWYBZVZKQOZ-FUOWLQLWSA-N
XLogP-1.29
TPSA79.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-2-N-methyl-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-2-N-methyl-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine?
The IUPAC name of (1Z,3Z)-2-N-methyl-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine (CID 126661889) is (1Z,3Z)-2-N-methyl-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine.
What is the SMILES notation for (1Z,3Z)-2-N-methyl-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine?
The canonical SMILES for (1Z,3Z)-2-N-methyl-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine is CNC(/C=C\N)=C(/N)N1CCNCC1.
What is the InChIKey of (1Z,3Z)-2-N-methyl-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine?
The InChIKey is WJTOWYBZVZKQOZ-FUOWLQLWSA-N. The full InChI is InChI=1S/C9H19N5/c1-12-8(2-3-10)9(11)14-6-4-13-5-7-14/h2-3,12-13H,4-7,10-11H2,1H3/b3-2-,9-8-.
What are the key properties of (1Z,3Z)-2-N-methyl-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine?
(1Z,3Z)-2-N-methyl-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine has a molecular weight of 197.29 g/mol, XLogP of -1.29, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-2-N-methyl-1-piperazin-1-ylbuta-1,3-diene-1,2,4-triamine is sourced from PubChem (CID 126661889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).