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

C5H12N6O2 — CID 67627577

IUPACethane-1,2-diol;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.OCCO
InChIInChI=1S/C3H6N6.C2H6O2/c4-1-7-2(5)9-3(6)8-1;3-1-2-4/h(H6,4,5,6,7,8,9);3-4H,1-2H2
InChIKeyKTRACVWOSSXUKT-UHFFFAOYSA-N
MW188.19 g/mol
LogP-2.41
Rot. Bonds1

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

ethane-1,2-diol;1,3,5-triazine-2,4,6-triamine (PubChem CID 67627577) has the molecular formula C5H12N6O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is ethane-1,2-diol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameethane-1,2-diol;1,3,5-triazine-2,4,6-triamine
PubChem CID67627577
Molecular FormulaC5H12N6O2
Molecular Weight188.19 g/mol
Exact Mass188.10
IUPAC Nameethane-1,2-diol;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.OCCO
InChIInChI=1S/C3H6N6.C2H6O2/c4-1-7-2(5)9-3(6)8-1;3-1-2-4/h(H6,4,5,6,7,8,9);3-4H,1-2H2
InChIKeyKTRACVWOSSXUKT-UHFFFAOYSA-N
XLogP-2.41
TPSA157.19 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-2.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze ethane-1,2-diol;1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of ethane-1,2-diol;1,3,5-triazine-2,4,6-triamine (CID 67627577) is ethane-1,2-diol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for ethane-1,2-diol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for ethane-1,2-diol;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.OCCO.
What is the InChIKey of ethane-1,2-diol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is KTRACVWOSSXUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H6O2/c4-1-7-2(5)9-3(6)8-1;3-1-2-4/h(H6,4,5,6,7,8,9);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;1,3,5-triazine-2,4,6-triamine?
ethane-1,2-diol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 188.19 g/mol, XLogP of -2.41, 1 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 67627577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).