(5Z,6E)-6-ethylidene-2-N,4-N-dimethyl-5-prop-2-enylidenepyridine-2,3,4-triamine

C12H18N4 — CID 166782413

IUPAC(5Z,6E)-6-ethylidene-2-N,4-N-dimethyl-5-prop-2-enylidenepyridine-2,3,4-triamine
SMILESC=C/C=c1/c(NC)c(N)c(NC)n/c1=C/C
InChIInChI=1S/C12H18N4/c1-5-7-8-9(6-2)16-12(15-4)10(13)11(8)14-3/h5-7,14H,1,13H2,2-4H3,(H,15,16)/b8-7+,9-6+
InChIKeyJTDQGYOBHIKXCV-KHHFIZIMSA-N
MW218.30 g/mol
LogP0.51
Rot. Bonds3

About (5Z,6E)-6-ethylidene-2-N,4-N-dimethyl-5-prop-2-enylidenepyridine-2,3,4-triamine

(5Z,6E)-6-ethylidene-2-N,4-N-dimethyl-5-prop-2-enylidenepyridine-2,3,4-triamine (PubChem CID 166782413) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is (5Z,6E)-6-ethylidene-2-N,4-N-dimethyl-5-prop-2-enylidenepyridine-2,3,4-triamine.

Molecular Properties

Compound Name(5Z,6E)-6-ethylidene-2-N,4-N-dimethyl-5-prop-2-enylidenepyridine-2,3,4-triamine
PubChem CID166782413
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name(5Z,6E)-6-ethylidene-2-N,4-N-dimethyl-5-prop-2-enylidenepyridine-2,3,4-triamine
SMILESC=C/C=c1/c(NC)c(N)c(NC)n/c1=C/C
InChIInChI=1S/C12H18N4/c1-5-7-8-9(6-2)16-12(15-4)10(13)11(8)14-3/h5-7,14H,1,13H2,2-4H3,(H,15,16)/b8-7+,9-6+
InChIKeyJTDQGYOBHIKXCV-KHHFIZIMSA-N
XLogP0.51
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (5Z,6E)-6-ethylidene-2-N,4-N-dimethyl-5-prop-2-enylidenepyridine-2,3,4-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 (5Z,6E)-6-ethylidene-2-N,4-N-dimethyl-5-prop-2-enylidenepyridine-2,3,4-triamine?
The IUPAC name of (5Z,6E)-6-ethylidene-2-N,4-N-dimethyl-5-prop-2-enylidenepyridine-2,3,4-triamine (CID 166782413) is (5Z,6E)-6-ethylidene-2-N,4-N-dimethyl-5-prop-2-enylidenepyridine-2,3,4-triamine.
What is the SMILES notation for (5Z,6E)-6-ethylidene-2-N,4-N-dimethyl-5-prop-2-enylidenepyridine-2,3,4-triamine?
The canonical SMILES for (5Z,6E)-6-ethylidene-2-N,4-N-dimethyl-5-prop-2-enylidenepyridine-2,3,4-triamine is C=C/C=c1/c(NC)c(N)c(NC)n/c1=C/C.
What is the InChIKey of (5Z,6E)-6-ethylidene-2-N,4-N-dimethyl-5-prop-2-enylidenepyridine-2,3,4-triamine?
The InChIKey is JTDQGYOBHIKXCV-KHHFIZIMSA-N. The full InChI is InChI=1S/C12H18N4/c1-5-7-8-9(6-2)16-12(15-4)10(13)11(8)14-3/h5-7,14H,1,13H2,2-4H3,(H,15,16)/b8-7+,9-6+.
What are the key properties of (5Z,6E)-6-ethylidene-2-N,4-N-dimethyl-5-prop-2-enylidenepyridine-2,3,4-triamine?
(5Z,6E)-6-ethylidene-2-N,4-N-dimethyl-5-prop-2-enylidenepyridine-2,3,4-triamine has a molecular weight of 218.30 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-6-ethylidene-2-N,4-N-dimethyl-5-prop-2-enylidenepyridine-2,3,4-triamine is sourced from PubChem (CID 166782413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).