ethanol;triazine

C5H9N3O — CID 158560477

IUPACethanol;triazine
SMILESCCO.c1cnnnc1
InChIInChI=1S/C3H3N3.C2H6O/c1-2-4-6-5-3-1;1-2-3/h1-3H;3H,2H2,1H3
InChIKeyHQUYYBVFJOEAOF-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.13
Rot. Bonds

About ethanol;triazine

ethanol;triazine (PubChem CID 158560477) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is ethanol;triazine.

Molecular Properties

Compound Nameethanol;triazine
PubChem CID158560477
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Nameethanol;triazine
SMILESCCO.c1cnnnc1
InChIInChI=1S/C3H3N3.C2H6O/c1-2-4-6-5-3-1;1-2-3/h1-3H;3H,2H2,1H3
InChIKeyHQUYYBVFJOEAOF-UHFFFAOYSA-N
XLogP-0.13
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethanol;triazine?
The IUPAC name of ethanol;triazine (CID 158560477) is ethanol;triazine.
What is the SMILES notation for ethanol;triazine?
The canonical SMILES for ethanol;triazine is CCO.c1cnnnc1.
What is the InChIKey of ethanol;triazine?
The InChIKey is HQUYYBVFJOEAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.C2H6O/c1-2-4-6-5-3-1;1-2-3/h1-3H;3H,2H2,1H3.
What are the key properties of ethanol;triazine?
ethanol;triazine has a molecular weight of 127.15 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;triazine is sourced from PubChem (CID 158560477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).