6-prop-2-enoxy-1,3,5-triazine-2,4-diamine

C6H9N5O — CID 22721

IUPAC6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(N)nc(N)n1
InChIInChI=1S/C6H9N5O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2H,1,3H2,(H4,7,8,9,10,11)
InChIKeyUGQNGGGQIGXDSR-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.40
Rot. Bonds3

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

6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (PubChem CID 22721) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 6-prop-2-enoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
PubChem CID22721
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(N)nc(N)n1
InChIInChI=1S/C6H9N5O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2H,1,3H2,(H4,7,8,9,10,11)
InChIKeyUGQNGGGQIGXDSR-UHFFFAOYSA-N
XLogP-0.40
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Triallyl cyanurate
CID 7555
6-(allyloxy)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine
CID 1819021
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
4,6-Bis(allyloxy)-2-methoxy-1,3,5-triazine
CID 6452248
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
2,4-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

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (CID 22721) is 6-prop-2-enoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is C=CCOc1nc(N)nc(N)n1.
What is the InChIKey of 6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is UGQNGGGQIGXDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2H,1,3H2,(H4,7,8,9,10,11).
What are the key properties of 6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
6-prop-2-enoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 167.17 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).