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

C7H16N6O3 — CID 6455823

IUPACformaldehyde;propane-1,2-diol;1,3,5-triazine-2,4,6-triamine
SMILESC=O.CC(O)CO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H8O2.CH2O/c4-1-7-2(5)9-3(6)8-1;1-3(5)2-4;1-2/h(H6,4,5,6,7,8,9);3-5H,2H2,1H3;1H2
InChIKeySHSJKHMZGLHDJC-UHFFFAOYSA-N
MW232.24 g/mol
LogP-2.21
Rot. Bonds1

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

formaldehyde;propane-1,2-diol;1,3,5-triazine-2,4,6-triamine (PubChem CID 6455823) has the molecular formula C7H16N6O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is formaldehyde;propane-1,2-diol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameformaldehyde;propane-1,2-diol;1,3,5-triazine-2,4,6-triamine
PubChem CID6455823
Molecular FormulaC7H16N6O3
Molecular Weight232.24 g/mol
Exact Mass232.13
IUPAC Nameformaldehyde;propane-1,2-diol;1,3,5-triazine-2,4,6-triamine
SMILESC=O.CC(O)CO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H8O2.CH2O/c4-1-7-2(5)9-3(6)8-1;1-3(5)2-4;1-2/h(H6,4,5,6,7,8,9);3-5H,2H2,1H3;1H2
InChIKeySHSJKHMZGLHDJC-UHFFFAOYSA-N
XLogP-2.21
TPSA174.26 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-2.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

Butane-1,4-diol;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 44146408
Ethane-1,2-diol;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 156299231
Ethane-1,2-diol;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea
CID 155288849
Ethanol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine
CID 19765947
Butan-1-ol;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 19765948
Butan-1-ol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine
CID 19765949
Tris(propan-2-ol);1,3,5-triazine-2,4,6-triamine
CID 19767295
Ethanol;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 20485953
Butan-1-ol;1,3,5-triazine-2,4,6-triamine
CID 67768036
Propane-1,2-diol;1,3,5-triazine-2,4,6-triamine
CID 67826441
Propan-2-ol;1,3,5-triazine-2,4,6-triamine
CID 67878234
Formaldehyde;propane-1,2,3-triol;1,3,5-triazine-2,4,6-triamine
CID 156299218

Frequently Asked Questions

What is the IUPAC name of formaldehyde;propane-1,2-diol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of formaldehyde;propane-1,2-diol;1,3,5-triazine-2,4,6-triamine (CID 6455823) is formaldehyde;propane-1,2-diol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for formaldehyde;propane-1,2-diol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for formaldehyde;propane-1,2-diol;1,3,5-triazine-2,4,6-triamine is C=O.CC(O)CO.Nc1nc(N)nc(N)n1.
What is the InChIKey of formaldehyde;propane-1,2-diol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is SHSJKHMZGLHDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C3H8O2.CH2O/c4-1-7-2(5)9-3(6)8-1;1-3(5)2-4;1-2/h(H6,4,5,6,7,8,9);3-5H,2H2,1H3;1H2.
What are the key properties of formaldehyde;propane-1,2-diol;1,3,5-triazine-2,4,6-triamine?
formaldehyde;propane-1,2-diol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 232.24 g/mol, XLogP of -2.21, 1 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;propane-1,2-diol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 6455823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).