prop-2-enoxymethanol;1,3,5-triazine-2,4,6-triamine

C7H14N6O2 — CID 67924821

IUPACprop-2-enoxymethanol;1,3,5-triazine-2,4,6-triamine
SMILESC=CCOCO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H8O2.C3H6N6/c1-2-3-6-4-5;4-1-7-2(5)9-3(6)8-1/h2,5H,1,3-4H2;(H6,4,5,6,7,8,9)
InChIKeyNDZXXEXAZLCPCG-UHFFFAOYSA-N
MW214.23 g/mol
LogP-1.24
Rot. Bonds3

About prop-2-enoxymethanol;1,3,5-triazine-2,4,6-triamine

prop-2-enoxymethanol;1,3,5-triazine-2,4,6-triamine (PubChem CID 67924821) has the molecular formula C7H14N6O2 and a molecular weight of 214.23 g/mol. Its IUPAC name is prop-2-enoxymethanol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameprop-2-enoxymethanol;1,3,5-triazine-2,4,6-triamine
PubChem CID67924821
Molecular FormulaC7H14N6O2
Molecular Weight214.23 g/mol
Exact Mass214.12
IUPAC Nameprop-2-enoxymethanol;1,3,5-triazine-2,4,6-triamine
SMILESC=CCOCO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H8O2.C3H6N6/c1-2-3-6-4-5;4-1-7-2(5)9-3(6)8-1/h2,5H,1,3-4H2;(H6,4,5,6,7,8,9)
InChIKeyNDZXXEXAZLCPCG-UHFFFAOYSA-N
XLogP-1.24
TPSA146.19 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4-Diallyloxy-6-amino-1,3,5-triazine
CID 35028
1-[[4,6-Bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol
CID 67082402
3-Methoxy-3-(1-methoxyprop-2-enoxy)prop-1-ene;1,3,5-triazine-2,4,6-triamine
CID 67624858
1-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol
CID 140339658
4-Methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 80868111

Frequently Asked Questions

What is the IUPAC name of prop-2-enoxymethanol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of prop-2-enoxymethanol;1,3,5-triazine-2,4,6-triamine (CID 67924821) is prop-2-enoxymethanol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for prop-2-enoxymethanol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for prop-2-enoxymethanol;1,3,5-triazine-2,4,6-triamine is C=CCOCO.Nc1nc(N)nc(N)n1.
What is the InChIKey of prop-2-enoxymethanol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is NDZXXEXAZLCPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H6N6/c1-2-3-6-4-5;4-1-7-2(5)9-3(6)8-1/h2,5H,1,3-4H2;(H6,4,5,6,7,8,9).
What are the key properties of prop-2-enoxymethanol;1,3,5-triazine-2,4,6-triamine?
prop-2-enoxymethanol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 214.23 g/mol, XLogP of -1.24, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxymethanol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 67924821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).