propane-1,2-diol;1,3,5-triazine-2,4,6-triamine

C6H14N6O2 — CID 67826441

IUPACpropane-1,2-diol;1,3,5-triazine-2,4,6-triamine
SMILESCC(O)CO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H8O2/c4-1-7-2(5)9-3(6)8-1;1-3(5)2-4/h(H6,4,5,6,7,8,9);3-5H,2H2,1H3
InChIKeyIYWOOYYODVYQMS-UHFFFAOYSA-N
MW202.22 g/mol
LogP-2.02
Rot. Bonds1

About propane-1,2-diol;1,3,5-triazine-2,4,6-triamine

propane-1,2-diol;1,3,5-triazine-2,4,6-triamine (PubChem CID 67826441) has the molecular formula C6H14N6O2 and a molecular weight of 202.22 g/mol. Its IUPAC name is propane-1,2-diol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namepropane-1,2-diol;1,3,5-triazine-2,4,6-triamine
PubChem CID67826441
Molecular FormulaC6H14N6O2
Molecular Weight202.22 g/mol
Exact Mass202.12
IUPAC Namepropane-1,2-diol;1,3,5-triazine-2,4,6-triamine
SMILESCC(O)CO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H8O2/c4-1-7-2(5)9-3(6)8-1;1-3(5)2-4/h(H6,4,5,6,7,8,9);3-5H,2H2,1H3
InChIKeyIYWOOYYODVYQMS-UHFFFAOYSA-N
XLogP-2.02
TPSA157.19 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propane-1,2-diol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of propane-1,2-diol;1,3,5-triazine-2,4,6-triamine (CID 67826441) is propane-1,2-diol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for propane-1,2-diol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for propane-1,2-diol;1,3,5-triazine-2,4,6-triamine is CC(O)CO.Nc1nc(N)nc(N)n1.
What is the InChIKey of propane-1,2-diol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is IYWOOYYODVYQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C3H8O2/c4-1-7-2(5)9-3(6)8-1;1-3(5)2-4/h(H6,4,5,6,7,8,9);3-5H,2H2,1H3.
What are the key properties of propane-1,2-diol;1,3,5-triazine-2,4,6-triamine?
propane-1,2-diol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 202.22 g/mol, XLogP of -2.02, 1 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2-diol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 67826441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).