2,4-dimethyl-6-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-1,3,5-triazine;propane

C15H25N3 — CID 144596640

IUPAC2,4-dimethyl-6-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-1,3,5-triazine;propane
SMILESC/C=C\C(C)=C(/C)c1nc(C)nc(C)n1.CCC
InChIInChI=1S/C12H17N3.C3H8/c1-6-7-8(2)9(3)12-14-10(4)13-11(5)15-12;1-3-2/h6-7H,1-5H3;3H2,1-2H3/b7-6-,9-8+;
InChIKeyOGZLBGAYKBICJS-FTOWGUJXSA-N
MW247.39 g/mol
LogP4.27
Rot. Bonds2

About 2,4-dimethyl-6-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-1,3,5-triazine;propane

2,4-dimethyl-6-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-1,3,5-triazine;propane (PubChem CID 144596640) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-1,3,5-triazine;propane.

Molecular Properties

Compound Name2,4-dimethyl-6-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-1,3,5-triazine;propane
PubChem CID144596640
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2,4-dimethyl-6-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-1,3,5-triazine;propane
SMILESC/C=C\C(C)=C(/C)c1nc(C)nc(C)n1.CCC
InChIInChI=1S/C12H17N3.C3H8/c1-6-7-8(2)9(3)12-14-10(4)13-11(5)15-12;1-3-2/h6-7H,1-5H3;3H2,1-2H3/b7-6-,9-8+;
InChIKeyOGZLBGAYKBICJS-FTOWGUJXSA-N
XLogP4.27
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-1,3,5-triazine;propane?
The IUPAC name of 2,4-dimethyl-6-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-1,3,5-triazine;propane (CID 144596640) is 2,4-dimethyl-6-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-1,3,5-triazine;propane.
What is the SMILES notation for 2,4-dimethyl-6-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-1,3,5-triazine;propane?
The canonical SMILES for 2,4-dimethyl-6-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-1,3,5-triazine;propane is C/C=C\C(C)=C(/C)c1nc(C)nc(C)n1.CCC.
What is the InChIKey of 2,4-dimethyl-6-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-1,3,5-triazine;propane?
The InChIKey is OGZLBGAYKBICJS-FTOWGUJXSA-N. The full InChI is InChI=1S/C12H17N3.C3H8/c1-6-7-8(2)9(3)12-14-10(4)13-11(5)15-12;1-3-2/h6-7H,1-5H3;3H2,1-2H3/b7-6-,9-8+;.
What are the key properties of 2,4-dimethyl-6-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-1,3,5-triazine;propane?
2,4-dimethyl-6-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-1,3,5-triazine;propane has a molecular weight of 247.39 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]-1,3,5-triazine;propane is sourced from PubChem (CID 144596640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).