2-ethyl-2-(hydroxymethyl)propane-1,3-diol;triazine

C9H17N3O3 — CID 19607450

IUPAC2-ethyl-2-(hydroxymethyl)propane-1,3-diol;triazine
SMILESCCC(CO)(CO)CO.c1cnnnc1
InChIInChI=1S/C6H14O3.C3H3N3/c1-2-6(3-7,4-8)5-9;1-2-4-6-5-3-1/h7-9H,2-5H2,1H3;1-3H
InChIKeyIZEKMOPVXHBMHS-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.77
Rot. Bonds4

About 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;triazine

2-ethyl-2-(hydroxymethyl)propane-1,3-diol;triazine (PubChem CID 19607450) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;triazine.

Molecular Properties

Compound Name2-ethyl-2-(hydroxymethyl)propane-1,3-diol;triazine
PubChem CID19607450
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-ethyl-2-(hydroxymethyl)propane-1,3-diol;triazine
SMILESCCC(CO)(CO)CO.c1cnnnc1
InChIInChI=1S/C6H14O3.C3H3N3/c1-2-6(3-7,4-8)5-9;1-2-4-6-5-3-1/h7-9H,2-5H2,1H3;1-3H
InChIKeyIZEKMOPVXHBMHS-UHFFFAOYSA-N
XLogP-0.77
TPSA99.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;triazine?
The IUPAC name of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;triazine (CID 19607450) is 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;triazine.
What is the SMILES notation for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;triazine?
The canonical SMILES for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;triazine is CCC(CO)(CO)CO.c1cnnnc1.
What is the InChIKey of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;triazine?
The InChIKey is IZEKMOPVXHBMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C3H3N3/c1-2-6(3-7,4-8)5-9;1-2-4-6-5-3-1/h7-9H,2-5H2,1H3;1-3H.
What are the key properties of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;triazine?
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;triazine has a molecular weight of 215.25 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;triazine is sourced from PubChem (CID 19607450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).