4-N-cyclohexa-1,5-dien-1-yl-2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3,5-triazine-2,4-diamine;ethane

C17H23N5 — CID 145146501

IUPAC4-N-cyclohexa-1,5-dien-1-yl-2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3,5-triazine-2,4-diamine;ethane
SMILESC=C/C=C\C(=C)Nc1ncnc(NC2=CCCC=C2)n1.CC
InChIInChI=1S/C15H17N5.C2H6/c1-3-4-8-12(2)18-14-16-11-17-15(20-14)19-13-9-6-5-7-10-13;1-2/h3-4,6,8-11H,1-2,5,7H2,(H2,16,17,18,19,20);1-2H3/b8-4-;
InChIKeyNYTVTYZOZVOGHO-ZYFYRQFPSA-N
MW297.41 g/mol
LogP4.21
Rot. Bonds6

About 4-N-cyclohexa-1,5-dien-1-yl-2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3,5-triazine-2,4-diamine;ethane

4-N-cyclohexa-1,5-dien-1-yl-2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3,5-triazine-2,4-diamine;ethane (PubChem CID 145146501) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-N-cyclohexa-1,5-dien-1-yl-2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3,5-triazine-2,4-diamine;ethane.

Molecular Properties

Compound Name4-N-cyclohexa-1,5-dien-1-yl-2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3,5-triazine-2,4-diamine;ethane
PubChem CID145146501
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name4-N-cyclohexa-1,5-dien-1-yl-2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3,5-triazine-2,4-diamine;ethane
SMILESC=C/C=C\C(=C)Nc1ncnc(NC2=CCCC=C2)n1.CC
InChIInChI=1S/C15H17N5.C2H6/c1-3-4-8-12(2)18-14-16-11-17-15(20-14)19-13-9-6-5-7-10-13;1-2/h3-4,6,8-11H,1-2,5,7H2,(H2,16,17,18,19,20);1-2H3/b8-4-;
InChIKeyNYTVTYZOZVOGHO-ZYFYRQFPSA-N
XLogP4.21
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-cyclohexa-1,5-dien-1-yl-2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3,5-triazine-2,4-diamine;ethane 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 4-N-cyclohexa-1,5-dien-1-yl-2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3,5-triazine-2,4-diamine;ethane?
The IUPAC name of 4-N-cyclohexa-1,5-dien-1-yl-2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3,5-triazine-2,4-diamine;ethane (CID 145146501) is 4-N-cyclohexa-1,5-dien-1-yl-2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3,5-triazine-2,4-diamine;ethane.
What is the SMILES notation for 4-N-cyclohexa-1,5-dien-1-yl-2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3,5-triazine-2,4-diamine;ethane?
The canonical SMILES for 4-N-cyclohexa-1,5-dien-1-yl-2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3,5-triazine-2,4-diamine;ethane is C=C/C=C\C(=C)Nc1ncnc(NC2=CCCC=C2)n1.CC.
What is the InChIKey of 4-N-cyclohexa-1,5-dien-1-yl-2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3,5-triazine-2,4-diamine;ethane?
The InChIKey is NYTVTYZOZVOGHO-ZYFYRQFPSA-N. The full InChI is InChI=1S/C15H17N5.C2H6/c1-3-4-8-12(2)18-14-16-11-17-15(20-14)19-13-9-6-5-7-10-13;1-2/h3-4,6,8-11H,1-2,5,7H2,(H2,16,17,18,19,20);1-2H3/b8-4-;.
What are the key properties of 4-N-cyclohexa-1,5-dien-1-yl-2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3,5-triazine-2,4-diamine;ethane?
4-N-cyclohexa-1,5-dien-1-yl-2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3,5-triazine-2,4-diamine;ethane has a molecular weight of 297.41 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexa-1,5-dien-1-yl-2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3,5-triazine-2,4-diamine;ethane is sourced from PubChem (CID 145146501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).