2,4-dimethyl-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazine

C10H13N3 — CID 121360259

IUPAC2,4-dimethyl-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazine
SMILESC=C/C(=C\C)c1nc(C)nc(C)n1
InChIInChI=1S/C10H13N3/c1-5-9(6-2)10-12-7(3)11-8(4)13-10/h5-6H,1H2,2-4H3/b9-6+
InChIKeyWBMQCPNPEXVLFJ-RMKNXTFCSA-N
MW175.23 g/mol
LogP2.08
Rot. Bonds2

About 2,4-dimethyl-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazine

2,4-dimethyl-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazine (PubChem CID 121360259) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethyl-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazine
PubChem CID121360259
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2,4-dimethyl-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazine
SMILESC=C/C(=C\C)c1nc(C)nc(C)n1
InChIInChI=1S/C10H13N3/c1-5-9(6-2)10-12-7(3)11-8(4)13-10/h5-6H,1H2,2-4H3/b9-6+
InChIKeyWBMQCPNPEXVLFJ-RMKNXTFCSA-N
XLogP2.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.08
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-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazine?
The IUPAC name of 2,4-dimethyl-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazine (CID 121360259) is 2,4-dimethyl-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethyl-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-dimethyl-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazine is C=C/C(=C\C)c1nc(C)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazine?
The InChIKey is WBMQCPNPEXVLFJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H13N3/c1-5-9(6-2)10-12-7(3)11-8(4)13-10/h5-6H,1H2,2-4H3/b9-6+.
What are the key properties of 2,4-dimethyl-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazine?
2,4-dimethyl-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazine has a molecular weight of 175.23 g/mol, XLogP of 2.08, 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-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazine is sourced from PubChem (CID 121360259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).