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

C15H17N5 — CID 145146502

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
SMILESC=C/C=C\C(=C)Nc1ncnc(NC2=CCCC=C2)n1
InChIInChI=1S/C15H17N5/c1-3-4-8-12(2)18-14-16-11-17-15(20-14)19-13-9-6-5-7-10-13/h3-4,6,8-11H,1-2,5,7H2,(H2,16,17,18,19,20)/b8-4-
InChIKeyXQYLFPZFKYNWIR-YWEYNIOJSA-N
MW267.34 g/mol
LogP3.19
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

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 (PubChem CID 145146502) has the molecular formula C15H17N5 and a molecular weight of 267.34 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.

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
PubChem CID145146502
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
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
SMILESC=C/C=C\C(=C)Nc1ncnc(NC2=CCCC=C2)n1
InChIInChI=1S/C15H17N5/c1-3-4-8-12(2)18-14-16-11-17-15(20-14)19-13-9-6-5-7-10-13/h3-4,6,8-11H,1-2,5,7H2,(H2,16,17,18,19,20)/b8-4-
InChIKeyXQYLFPZFKYNWIR-YWEYNIOJSA-N
XLogP3.19
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.19
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 with MolForge

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Launch Full Analysis

Related Compounds

N-(buta-1,3-dien-2-yl)-1,3,5-triazin-2-amine
CID 162368556
tetrasodium;2-N,4-N-bis[4-(2-phenylethenyl)benzene-5-id-1-yl]-1,3,5-triazine-2,4-diamine
CID 58743542
2-N-cyclohexa-1,5-dien-1-yl-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 123423104
ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine
CID 143387522
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
2-N-cyclohexa-2,4-dien-1-yl-1,3,5-triazine-2,4-diamine
CID 154183572
2,4,6,8,14-Pentazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9-pentaene
CID 173336705
N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine
CID 143387500
2-N-cyclopenta-1,4-dien-1-yl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 157136980
4-N-cyclopenta-1,4-dien-1-yl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 157136982
2-N-cyclopenta-1,4-dien-1-yl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 157136984
6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
CID 157136985

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?
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 (CID 145146502) 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.
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?
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 is C=C/C=C\C(=C)Nc1ncnc(NC2=CCCC=C2)n1.
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?
The InChIKey is XQYLFPZFKYNWIR-YWEYNIOJSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-4-8-12(2)18-14-16-11-17-15(20-14)19-13-9-6-5-7-10-13/h3-4,6,8-11H,1-2,5,7H2,(H2,16,17,18,19,20)/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?
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 has a molecular weight of 267.34 g/mol, XLogP of 3.19, 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 is sourced from PubChem (CID 145146502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).