2,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]-1,2-dihydro-1,3,5-triazine

C10H15N3 — CID 176547519

IUPAC2,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]-1,2-dihydro-1,3,5-triazine
SMILESC=C(/C=C\C)C1=NC(C)NC(C)=N1
InChIInChI=1S/C10H15N3/c1-5-6-7(2)10-12-8(3)11-9(4)13-10/h5-6,8H,2H2,1,3-4H3,(H,11,12,13)/b6-5-
InChIKeyJCVSDHSEPTUOCC-WAYWQWQTSA-N
MW177.25 g/mol
LogP1.88
Rot. Bonds2

About 2,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]-1,2-dihydro-1,3,5-triazine

2,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]-1,2-dihydro-1,3,5-triazine (PubChem CID 176547519) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]-1,2-dihydro-1,3,5-triazine
PubChem CID176547519
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]-1,2-dihydro-1,3,5-triazine
SMILESC=C(/C=C\C)C1=NC(C)NC(C)=N1
InChIInChI=1S/C10H15N3/c1-5-6-7(2)10-12-8(3)11-9(4)13-10/h5-6,8H,2H2,1,3-4H3,(H,11,12,13)/b6-5-
InChIKeyJCVSDHSEPTUOCC-WAYWQWQTSA-N
XLogP1.88
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]-1,2-dihydro-1,3,5-triazine 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 2,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]-1,2-dihydro-1,3,5-triazine (CID 176547519) is 2,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]-1,2-dihydro-1,3,5-triazine is C=C(/C=C\C)C1=NC(C)NC(C)=N1.
What is the InChIKey of 2,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]-1,2-dihydro-1,3,5-triazine?
The InChIKey is JCVSDHSEPTUOCC-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H15N3/c1-5-6-7(2)10-12-8(3)11-9(4)13-10/h5-6,8H,2H2,1,3-4H3,(H,11,12,13)/b6-5-.
What are the key properties of 2,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]-1,2-dihydro-1,3,5-triazine?
2,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]-1,2-dihydro-1,3,5-triazine has a molecular weight of 177.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 176547519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).