2-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-1,3,5-triazine

C10H11N3 — CID 144884398

IUPAC2-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-1,3,5-triazine
SMILESC=C/C=C(\C=C)c1ncnc(C)n1
InChIInChI=1S/C10H11N3/c1-4-6-9(5-2)10-12-7-11-8(3)13-10/h4-7H,1-2H2,3H3/b9-6+
InChIKeyXUKSQHGAYXZOGM-RMKNXTFCSA-N
MW173.22 g/mol
LogP1.94
Rot. Bonds3

About 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-1,3,5-triazine

2-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-1,3,5-triazine (PubChem CID 144884398) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-1,3,5-triazine
PubChem CID144884398
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-1,3,5-triazine
SMILESC=C/C=C(\C=C)c1ncnc(C)n1
InChIInChI=1S/C10H11N3/c1-4-6-9(5-2)10-12-7-11-8(3)13-10/h4-7H,1-2H2,3H3/b9-6+
InChIKeyXUKSQHGAYXZOGM-RMKNXTFCSA-N
XLogP1.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.94
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-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-1,3,5-triazine?
The IUPAC name of 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-1,3,5-triazine (CID 144884398) is 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-1,3,5-triazine.
What is the SMILES notation for 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-1,3,5-triazine?
The canonical SMILES for 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-1,3,5-triazine is C=C/C=C(\C=C)c1ncnc(C)n1.
What is the InChIKey of 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-1,3,5-triazine?
The InChIKey is XUKSQHGAYXZOGM-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H11N3/c1-4-6-9(5-2)10-12-7-11-8(3)13-10/h4-7H,1-2H2,3H3/b9-6+.
What are the key properties of 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-1,3,5-triazine?
2-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-1,3,5-triazine has a molecular weight of 173.22 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-1,3,5-triazine is sourced from PubChem (CID 144884398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).