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

C16H30N4 — CID 143387522

IUPACethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine
SMILESC=C.C=C/C(=C\CC)Nc1ncnc(C)n1.CC.CC
InChIInChI=1S/C10H14N4.2C2H6.C2H4/c1-4-6-9(5-2)14-10-12-7-11-8(3)13-10;3*1-2/h5-7H,2,4H2,1,3H3,(H,11,12,13,14);2*1-2H3;1-2H2/b9-6+;;;
InChIKeyVPPFDXAZXUWSKC-HCRDSFAKSA-N
MW278.44 g/mol
LogP4.93
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 143387522) has the molecular formula C16H30N4 and a molecular weight of 278.44 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 CID143387522
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
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\CC)Nc1ncnc(C)n1.CC.CC
InChIInChI=1S/C10H14N4.2C2H6.C2H4/c1-4-6-9(5-2)14-10-12-7-11-8(3)13-10;3*1-2/h5-7H,2,4H2,1,3H3,(H,11,12,13,14);2*1-2H3;1-2H2/b9-6+;;;
InChIKeyVPPFDXAZXUWSKC-HCRDSFAKSA-N
XLogP4.93
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.93
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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Related Compounds

N-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine
CID 143348030
2-N-cyclohexa-1,3-dien-1-yl-4-N-cyclohexa-2,4-dien-1-yl-6-methyl-1,3,5-triazine-2,4-diamine
CID 70790646
N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 70828456
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methyl-1,3,5-triazin-2-amine
CID 89159479
4-methyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,3,5-triazin-2-amine
CID 126681003
4-methyl-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-1,3,5-triazin-2-amine
CID 126683336
6-[C-[(1Z)-buta-1,3-dienyl]-N-ethenylcarbonimidoyl]-4-N-methyl-2-N-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]-1,3,5-triazine-2,4-diamine
CID 138661267
N-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine;ethane
CID 143348029
ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine
CID 143387499
ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine;prop-1-ene
CID 143387519
4-methyl-N-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-amine;molecular hydrogen;propane;prop-1-ene
CID 143387524
4-methyl-N-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-amine
CID 143387525

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 143387522) 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\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 VPPFDXAZXUWSKC-HCRDSFAKSA-N. The full InChI is InChI=1S/C10H14N4.2C2H6.C2H4/c1-4-6-9(5-2)14-10-12-7-11-8(3)13-10;3*1-2/h5-7H,2,4H2,1,3H3,(H,11,12,13,14);2*1-2H3;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 278.44 g/mol, XLogP of 4.93, 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 143387522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).