2-chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine

C7H8ClN3O2 — CID 62858632

IUPAC2-chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine
SMILESC=CCOc1nc(Cl)nc(OC)n1
InChIInChI=1S/C7H8ClN3O2/c1-3-4-13-7-10-5(8)9-6(11-7)12-2/h3H,1,4H2,2H3
InChIKeyQYRKUNDXPWFAFU-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.10
Rot. Bonds4

About 2-chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine

2-chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine (PubChem CID 62858632) has the molecular formula C7H8ClN3O2 and a molecular weight of 201.61 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine
PubChem CID62858632
Molecular FormulaC7H8ClN3O2
Molecular Weight201.61 g/mol
Exact Mass201.03
IUPAC Name2-chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine
SMILESC=CCOc1nc(Cl)nc(OC)n1
InChIInChI=1S/C7H8ClN3O2/c1-3-4-13-7-10-5(8)9-6(11-7)12-2/h3H,1,4H2,2H3
InChIKeyQYRKUNDXPWFAFU-UHFFFAOYSA-N
XLogP1.10
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

Triallyl cyanurate
CID 7555
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-Allyloxy-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 610855
2,4-Dimethoxy-6-allyloxy-sym-triazine
CID 13141333
2,4,6-Tris[(2-methyl-2-propen-1-yl)oxy]-1,3,5-triazine
CID 13761104
4,6-Bis(allyloxy)-2-methoxy-1,3,5-triazine
CID 6452248
2,4-Bis(prop-2-enoxy)-6-prop-2-ynoxy-1,3,5-triazine
CID 20188882
2-Chloro-4-fluoro-6-prop-2-enoxy-1,3,5-triazine
CID 141655647
2-Chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine
CID 10355128

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine (CID 62858632) is 2-chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine is C=CCOc1nc(Cl)nc(OC)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine?
The InChIKey is QYRKUNDXPWFAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2/c1-3-4-13-7-10-5(8)9-6(11-7)12-2/h3H,1,4H2,2H3.
What are the key properties of 2-chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine?
2-chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine has a molecular weight of 201.61 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine is sourced from PubChem (CID 62858632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).