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

C11H14N4 — CID 89159479

IUPACN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methyl-1,3,5-triazin-2-amine
SMILESC=C/C=C\C(=C/C)Nc1ncnc(C)n1
InChIInChI=1S/C11H14N4/c1-4-6-7-10(5-2)15-11-13-8-12-9(3)14-11/h4-8H,1H2,2-3H3,(H,12,13,14,15)/b7-6-,10-5+
InChIKeyLCCOAGOWWZPUSX-JQEGGOPCSA-N
MW202.26 g/mol
LogP2.24
Rot. Bonds4

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

N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methyl-1,3,5-triazin-2-amine (PubChem CID 89159479) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methyl-1,3,5-triazin-2-amine
PubChem CID89159479
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methyl-1,3,5-triazin-2-amine
SMILESC=C/C=C\C(=C/C)Nc1ncnc(C)n1
InChIInChI=1S/C11H14N4/c1-4-6-7-10(5-2)15-11-13-8-12-9(3)14-11/h4-8H,1H2,2-3H3,(H,12,13,14,15)/b7-6-,10-5+
InChIKeyLCCOAGOWWZPUSX-JQEGGOPCSA-N
XLogP2.24
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.24
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 N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methyl-1,3,5-triazin-2-amine (CID 89159479) is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methyl-1,3,5-triazin-2-amine is C=C/C=C\C(=C/C)Nc1ncnc(C)n1.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methyl-1,3,5-triazin-2-amine?
The InChIKey is LCCOAGOWWZPUSX-JQEGGOPCSA-N. The full InChI is InChI=1S/C11H14N4/c1-4-6-7-10(5-2)15-11-13-8-12-9(3)14-11/h4-8H,1H2,2-3H3,(H,12,13,14,15)/b7-6-,10-5+.
What are the key properties of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methyl-1,3,5-triazin-2-amine?
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methyl-1,3,5-triazin-2-amine has a molecular weight of 202.26 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 89159479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).