4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine

C12H19N5 — CID 176533287

IUPAC4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine
SMILESC=C/C=C\C(=C/C)NC1=NC(C)(C)NC(N)=N1
InChIInChI=1S/C12H19N5/c1-5-7-8-9(6-2)14-11-15-10(13)16-12(3,4)17-11/h5-8H,1H2,2-4H3,(H4,13,14,15,16,17)/b8-7-,9-6+
InChIKeyLSLPUGGCWYBZHY-SOKJVCRVSA-N
MW233.32 g/mol
LogP1.23
Rot. Bonds3

About 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine

4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine (PubChem CID 176533287) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine
PubChem CID176533287
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine
SMILESC=C/C=C\C(=C/C)NC1=NC(C)(C)NC(N)=N1
InChIInChI=1S/C12H19N5/c1-5-7-8-9(6-2)14-11-15-10(13)16-12(3,4)17-11/h5-8H,1H2,2-4H3,(H4,13,14,15,16,17)/b8-7-,9-6+
InChIKeyLSLPUGGCWYBZHY-SOKJVCRVSA-N
XLogP1.23
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine (CID 176533287) is 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine is C=C/C=C\C(=C/C)NC1=NC(C)(C)NC(N)=N1.
What is the InChIKey of 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine?
The InChIKey is LSLPUGGCWYBZHY-SOKJVCRVSA-N. The full InChI is InChI=1S/C12H19N5/c1-5-7-8-9(6-2)14-11-15-10(13)16-12(3,4)17-11/h5-8H,1H2,2-4H3,(H4,13,14,15,16,17)/b8-7-,9-6+.
What are the key properties of 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine?
4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine has a molecular weight of 233.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6,6-dimethyl-1H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 176533287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).