4-methyl-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-1,3,5-triazin-2-amine

C12H16N4 — CID 126683336

IUPAC4-methyl-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-1,3,5-triazin-2-amine
SMILESC/C=C\C=C/C(=C\C)Nc1ncnc(C)n1
InChIInChI=1S/C12H16N4/c1-4-6-7-8-11(5-2)16-12-14-9-13-10(3)15-12/h4-9H,1-3H3,(H,13,14,15,16)/b6-4-,8-7-,11-5+
InChIKeyXGJCDUKDUZNSAQ-DIMXEIQZSA-N
MW216.29 g/mol
LogP2.63
Rot. Bonds4

About 4-methyl-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-1,3,5-triazin-2-amine

4-methyl-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-1,3,5-triazin-2-amine (PubChem CID 126683336) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-methyl-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-1,3,5-triazin-2-amine
PubChem CID126683336
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-methyl-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-1,3,5-triazin-2-amine
SMILESC/C=C\C=C/C(=C\C)Nc1ncnc(C)n1
InChIInChI=1S/C12H16N4/c1-4-6-7-8-11(5-2)16-12-14-9-13-10(3)15-12/h4-9H,1-3H3,(H,13,14,15,16)/b6-4-,8-7-,11-5+
InChIKeyXGJCDUKDUZNSAQ-DIMXEIQZSA-N
XLogP2.63
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-1,3,5-triazin-2-amine (CID 126683336) is 4-methyl-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-1,3,5-triazin-2-amine is C/C=C\C=C/C(=C\C)Nc1ncnc(C)n1.
What is the InChIKey of 4-methyl-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-1,3,5-triazin-2-amine?
The InChIKey is XGJCDUKDUZNSAQ-DIMXEIQZSA-N. The full InChI is InChI=1S/C12H16N4/c1-4-6-7-8-11(5-2)16-12-14-9-13-10(3)15-12/h4-9H,1-3H3,(H,13,14,15,16)/b6-4-,8-7-,11-5+.
What are the key properties of 4-methyl-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-1,3,5-triazin-2-amine?
4-methyl-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-1,3,5-triazin-2-amine has a molecular weight of 216.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 126683336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).