4-[(E)-but-2-enoxy]-6-chloro-1,3,5-triazin-2-amine

C7H9ClN4O — CID 80872385

IUPAC4-[(E)-but-2-enoxy]-6-chloro-1,3,5-triazin-2-amine
SMILESC/C=C/COc1nc(N)nc(Cl)n1
InChIInChI=1S/C7H9ClN4O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h2-3H,4H2,1H3,(H2,9,10,11,12)/b3-2+
InChIKeyAXFPEQKEMYPNOG-NSCUHMNNSA-N
MW200.63 g/mol
LogP1.06
Rot. Bonds3

About 4-[(E)-but-2-enoxy]-6-chloro-1,3,5-triazin-2-amine

4-[(E)-but-2-enoxy]-6-chloro-1,3,5-triazin-2-amine (PubChem CID 80872385) has the molecular formula C7H9ClN4O and a molecular weight of 200.63 g/mol. Its IUPAC name is 4-[(E)-but-2-enoxy]-6-chloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(E)-but-2-enoxy]-6-chloro-1,3,5-triazin-2-amine
PubChem CID80872385
Molecular FormulaC7H9ClN4O
Molecular Weight200.63 g/mol
Exact Mass200.05
IUPAC Name4-[(E)-but-2-enoxy]-6-chloro-1,3,5-triazin-2-amine
SMILESC/C=C/COc1nc(N)nc(Cl)n1
InChIInChI=1S/C7H9ClN4O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h2-3H,4H2,1H3,(H2,9,10,11,12)/b3-2+
InChIKeyAXFPEQKEMYPNOG-NSCUHMNNSA-N
XLogP1.06
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

s-Triazine, 2-(allyloxy)-4,6-diamino-
CID 22721
2-(Allyloxy)-4,6-dichloro-1,3,5-triazine
CID 33571
2,4-Bis(allyloxy)-6-chloro-1,3,5-triazine
CID 84514
2,4-Diallyloxy-6-amino-1,3,5-triazine
CID 35028
4-[Chloro(difluoro)methoxy]-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 19777638
2-[(E)-but-2-enoxy]-4,6-dichloro-1,3,5-triazine
CID 10420994
2,4,6-Tris(but-2-enoxy)-1,3,5-triazine
CID 54247427
2,4-Bis(but-2-enoxy)-6-methoxy-1,3,5-triazine
CID 54447809
2,4-Bis(but-2-enoxy)-6-ethoxy-1,3,5-triazine
CID 54563080
2-Chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine
CID 62858632
2-But-2-enoxy-4,6-dichloro-1,3,5-triazine
CID 78917864
2,4-Dichloro-6-(3-methylbut-2-enoxy)-1,3,5-triazine
CID 88801384

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enoxy]-6-chloro-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(E)-but-2-enoxy]-6-chloro-1,3,5-triazin-2-amine (CID 80872385) is 4-[(E)-but-2-enoxy]-6-chloro-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(E)-but-2-enoxy]-6-chloro-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(E)-but-2-enoxy]-6-chloro-1,3,5-triazin-2-amine is C/C=C/COc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-[(E)-but-2-enoxy]-6-chloro-1,3,5-triazin-2-amine?
The InChIKey is AXFPEQKEMYPNOG-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H9ClN4O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h2-3H,4H2,1H3,(H2,9,10,11,12)/b3-2+.
What are the key properties of 4-[(E)-but-2-enoxy]-6-chloro-1,3,5-triazin-2-amine?
4-[(E)-but-2-enoxy]-6-chloro-1,3,5-triazin-2-amine has a molecular weight of 200.63 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enoxy]-6-chloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 80872385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).