6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

C12H17N5O — CID 89303317

IUPAC6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(OCC=C)n1
InChIInChI=1S/C12H17N5O/c1-4-7-13-10-15-11(14-8-5-2)17-12(16-10)18-9-6-3/h4-6H,1-3,7-9H2,(H2,13,14,15,16,17)
InChIKeyILGHFEWBWLKJRH-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.63
Rot. Bonds9

About 6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 89303317) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID89303317
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(OCC=C)n1
InChIInChI=1S/C12H17N5O/c1-4-7-13-10-15-11(14-8-5-2)17-12(16-10)18-9-6-3/h4-6H,1-3,7-9H2,(H2,13,14,15,16,17)
InChIKeyILGHFEWBWLKJRH-UHFFFAOYSA-N
XLogP1.63
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4,6-Dimethoxy-N-2-propen-1-yl-1,3,5-triazin-2-amine
CID 2056933
Cambridge id 6807868
CID 35116
6-(allyloxy)-N~2~,N~4~-diisopropyl-1,3,5-triazine-2,4-diamine
CID 6618995
Cambridge id 5304492
CID 2056339
6-(allyloxy)-N'-ethyl-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 2055870
2-Allylamino-4-amino-6-methoxy-s-triazine
CID 459154
2,4-Bis(allylamino)-6-butoxy-s-triazine
CID 459157
4,6-Bis(allyloxy)-N-butyl-1,3,5-triazin-2-amine
CID 104663
6-(fluoromethoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 176847625
1,3,5-Triazine, 2-allylamino-4-ethoxy-6-dimethylamino-
CID 602118
2-((4,6-Bis(allyloxy)-1,3,5-triazin-2-yl)amino)ethanol
CID 6453153
N~2~-allyl-N~4~-(tert-butyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 4287366

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 89303317) is 6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCC=C)nc(OCC=C)n1.
What is the InChIKey of 6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ILGHFEWBWLKJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-7-13-10-15-11(14-8-5-2)17-12(16-10)18-9-6-3/h4-6H,1-3,7-9H2,(H2,13,14,15,16,17).
What are the key properties of 6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 247.30 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 89303317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).