ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine

C18H34N4 — CID 143387499

IUPACethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine
SMILESC=C.C=C.C=C/C(=C\CC)Nc1ncnc(C)n1.CC.CC
InChIInChI=1S/C10H14N4.2C2H6.2C2H4/c1-4-6-9(5-2)14-10-12-7-11-8(3)13-10;4*1-2/h5-7H,2,4H2,1,3H3,(H,11,12,13,14);2*1-2H3;2*1-2H2/b9-6+;;;;
InChIKeyTXGKYAQNJTYBTK-MPMAQEBPSA-N
MW306.50 g/mol
LogP5.73
Rot. Bonds4

About ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine

ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine (PubChem CID 143387499) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Nameethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine
PubChem CID143387499
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Nameethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine
SMILESC=C.C=C.C=C/C(=C\CC)Nc1ncnc(C)n1.CC.CC
InChIInChI=1S/C10H14N4.2C2H6.2C2H4/c1-4-6-9(5-2)14-10-12-7-11-8(3)13-10;4*1-2/h5-7H,2,4H2,1,3H3,(H,11,12,13,14);2*1-2H3;2*1-2H2/b9-6+;;;;
InChIKeyTXGKYAQNJTYBTK-MPMAQEBPSA-N
XLogP5.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.50
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine?
The IUPAC name of ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine (CID 143387499) is ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine is C=C.C=C.C=C/C(=C\CC)Nc1ncnc(C)n1.CC.CC.
What is the InChIKey of ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine?
The InChIKey is TXGKYAQNJTYBTK-MPMAQEBPSA-N. The full InChI is InChI=1S/C10H14N4.2C2H6.2C2H4/c1-4-6-9(5-2)14-10-12-7-11-8(3)13-10;4*1-2/h5-7H,2,4H2,1,3H3,(H,11,12,13,14);2*1-2H3;2*1-2H2/b9-6+;;;;.
What are the key properties of ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine?
ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine has a molecular weight of 306.50 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 143387499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).