4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine

C9H11ClN4O — CID 20463

IUPAC4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(Cl)nc(OCC=C)n1
InChIInChI=1S/C9H11ClN4O/c1-3-5-11-8-12-7(10)13-9(14-8)15-6-4-2/h3-4H,1-2,5-6H2,(H,11,12,13,14)
InChIKeyOBYURHSXKYQFNC-UHFFFAOYSA-N
MW226.67 g/mol
LogP1.69
Rot. Bonds6

About 4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine

4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 20463) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID20463
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(Cl)nc(OCC=C)n1
InChIInChI=1S/C9H11ClN4O/c1-3-5-11-8-12-7(10)13-9(14-8)15-6-4-2/h3-4H,1-2,5-6H2,(H,11,12,13,14)
InChIKeyOBYURHSXKYQFNC-UHFFFAOYSA-N
XLogP1.69
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

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
2,4-Diallylamino-6-allyloxy-sym-triazine
CID 89303317
2,4-Bis(allylamino)-6-butoxy-s-triazine
CID 459157
4,6-Bis(allyloxy)-N-butyl-1,3,5-triazin-2-amine
CID 104663
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
4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 12205823
4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 23310878

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 20463) is 4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(Cl)nc(OCC=C)n1.
What is the InChIKey of 4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is OBYURHSXKYQFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c1-3-5-11-8-12-7(10)13-9(14-8)15-6-4-2/h3-4H,1-2,5-6H2,(H,11,12,13,14).
What are the key properties of 4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine?
4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 226.67 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 20463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).