4-methyl-N-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-amine;molecular hydrogen;propane;prop-1-ene

C15H28N4 — CID 143387524

IUPAC4-methyl-N-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-amine;molecular hydrogen;propane;prop-1-ene
SMILESC=C/C(=C\C)Nc1ncnc(C)n1.C=CC.CCC.[H][H]
InChIInChI=1S/C9H12N4.C3H8.C3H6.H2/c1-4-8(5-2)13-9-11-6-10-7(3)12-9;2*1-3-2;/h4-6H,1H2,2-3H3,(H,10,11,12,13);3H2,1-2H3;3H,1H2,2H3;1H/b8-5+;;;
InChIKeyGUCFBICDXVCKLX-JNSJFKBPSA-N
MW264.42 g/mol
LogP4.54
Rot. Bonds3

About 4-methyl-N-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-amine;molecular hydrogen;propane;prop-1-ene

4-methyl-N-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-amine;molecular hydrogen;propane;prop-1-ene (PubChem CID 143387524) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-methyl-N-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-amine;molecular hydrogen;propane;prop-1-ene.

Molecular Properties

Compound Name4-methyl-N-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-amine;molecular hydrogen;propane;prop-1-ene
PubChem CID143387524
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-methyl-N-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-amine;molecular hydrogen;propane;prop-1-ene
SMILESC=C/C(=C\C)Nc1ncnc(C)n1.C=CC.CCC.[H][H]
InChIInChI=1S/C9H12N4.C3H8.C3H6.H2/c1-4-8(5-2)13-9-11-6-10-7(3)12-9;2*1-3-2;/h4-6H,1H2,2-3H3,(H,10,11,12,13);3H2,1-2H3;3H,1H2,2H3;1H/b8-5+;;;
InChIKeyGUCFBICDXVCKLX-JNSJFKBPSA-N
XLogP4.54
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 54.54
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 4-methyl-N-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-amine;molecular hydrogen;propane;prop-1-ene?
The IUPAC name of 4-methyl-N-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-amine;molecular hydrogen;propane;prop-1-ene (CID 143387524) is 4-methyl-N-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-amine;molecular hydrogen;propane;prop-1-ene.
What is the SMILES notation for 4-methyl-N-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-amine;molecular hydrogen;propane;prop-1-ene?
The canonical SMILES for 4-methyl-N-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-amine;molecular hydrogen;propane;prop-1-ene is C=C/C(=C\C)Nc1ncnc(C)n1.C=CC.CCC.[H][H].
What is the InChIKey of 4-methyl-N-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-amine;molecular hydrogen;propane;prop-1-ene?
The InChIKey is GUCFBICDXVCKLX-JNSJFKBPSA-N. The full InChI is InChI=1S/C9H12N4.C3H8.C3H6.H2/c1-4-8(5-2)13-9-11-6-10-7(3)12-9;2*1-3-2;/h4-6H,1H2,2-3H3,(H,10,11,12,13);3H2,1-2H3;3H,1H2,2H3;1H/b8-5+;;;.
What are the key properties of 4-methyl-N-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-amine;molecular hydrogen;propane;prop-1-ene?
4-methyl-N-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-amine;molecular hydrogen;propane;prop-1-ene has a molecular weight of 264.42 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazin-2-amine;molecular hydrogen;propane;prop-1-ene is sourced from PubChem (CID 143387524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).