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

C6H7ClN4O — CID 79006337

IUPAC4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(N)nc(Cl)n1
InChIInChI=1S/C6H7ClN4O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2H,1,3H2,(H2,8,9,10,11)
InChIKeyXNPMJHPQBHAGMO-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.67
Rot. Bonds3

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

4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-amine (PubChem CID 79006337) has the molecular formula C6H7ClN4O and a molecular weight of 186.60 g/mol. Its IUPAC name is 4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-amine
PubChem CID79006337
Molecular FormulaC6H7ClN4O
Molecular Weight186.60 g/mol
Exact Mass186.03
IUPAC Name4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(N)nc(Cl)n1
InChIInChI=1S/C6H7ClN4O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2H,1,3H2,(H2,8,9,10,11)
InChIKeyXNPMJHPQBHAGMO-UHFFFAOYSA-N
XLogP0.67
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.67
H-Bond Donors ≤ 51
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-[Chloro(difluoro)methoxy]-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 19777638
4-Prop-2-enoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19777652
2-Chloro-4-fluoro-6-prop-2-enoxy-1,3,5-triazine
CID 141655647
2-[(E)-but-2-enoxy]-4,6-dichloro-1,3,5-triazine
CID 10420994
2-Chloro-4-methoxy-6-prop-2-enoxy-1,3,5-triazine
CID 62858632
3-Prop-2-enoxyprop-1-ene;1,3,5-triazine-2,4,6-triamine
CID 66788334
2-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 70363132

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-amine (CID 79006337) is 4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-amine is C=CCOc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The InChIKey is XNPMJHPQBHAGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2H,1,3H2,(H2,8,9,10,11).
What are the key properties of 4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-amine?
4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-amine has a molecular weight of 186.60 g/mol, XLogP of 0.67, 3 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-1,3,5-triazin-2-amine is sourced from PubChem (CID 79006337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).