tris(propan-2-ol);1,3,5-triazine-2,4,6-triamine

C12H30N6O3 — CID 19767295

IUPACtris(propan-2-ol);1,3,5-triazine-2,4,6-triamine
SMILESCC(C)O.CC(C)O.CC(C)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.3C3H8O/c4-1-7-2(5)9-3(6)8-1;3*1-3(2)4/h(H6,4,5,6,7,8,9);3*3-4H,1-2H3
InChIKeyJXNJTADAAOOIBR-UHFFFAOYSA-N
MW306.41 g/mol
LogP-0.22
Rot. Bonds

About tris(propan-2-ol);1,3,5-triazine-2,4,6-triamine

tris(propan-2-ol);1,3,5-triazine-2,4,6-triamine (PubChem CID 19767295) has the molecular formula C12H30N6O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tris(propan-2-ol);1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nametris(propan-2-ol);1,3,5-triazine-2,4,6-triamine
PubChem CID19767295
Molecular FormulaC12H30N6O3
Molecular Weight306.41 g/mol
Exact Mass306.24
IUPAC Nametris(propan-2-ol);1,3,5-triazine-2,4,6-triamine
SMILESCC(C)O.CC(C)O.CC(C)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.3C3H8O/c4-1-7-2(5)9-3(6)8-1;3*1-3(2)4/h(H6,4,5,6,7,8,9);3*3-4H,1-2H3
InChIKeyJXNJTADAAOOIBR-UHFFFAOYSA-N
XLogP-0.22
TPSA177.42 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 5-0.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Related Compounds

Formaldehyde;propane-1,2-diol;1,3,5-triazine-2,4,6-triamine
CID 6455823
Butane-1,4-diol;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 44146408
[[4-Amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol
CID 18944679
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
Hexakis(propan-2-ol);1,3,5-triazine-2,4,6-triamine
CID 19767296
1,3,5-Triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol
CID 19767305
2-Methylpropan-1-ol;1,3,5-triazine-2,4,6-triamine
CID 20459132
Ethanol;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 20485953
[(4,6-Diamino-1,3,5-triazin-2-yl)-(2-methylpropoxy)amino]methanol
CID 21195075
[Butoxy-(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol
CID 21195076

Frequently Asked Questions

What is the IUPAC name of tris(propan-2-ol);1,3,5-triazine-2,4,6-triamine?
The IUPAC name of tris(propan-2-ol);1,3,5-triazine-2,4,6-triamine (CID 19767295) is tris(propan-2-ol);1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for tris(propan-2-ol);1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for tris(propan-2-ol);1,3,5-triazine-2,4,6-triamine is CC(C)O.CC(C)O.CC(C)O.Nc1nc(N)nc(N)n1.
What is the InChIKey of tris(propan-2-ol);1,3,5-triazine-2,4,6-triamine?
The InChIKey is JXNJTADAAOOIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.3C3H8O/c4-1-7-2(5)9-3(6)8-1;3*1-3(2)4/h(H6,4,5,6,7,8,9);3*3-4H,1-2H3.
What are the key properties of tris(propan-2-ol);1,3,5-triazine-2,4,6-triamine?
tris(propan-2-ol);1,3,5-triazine-2,4,6-triamine has a molecular weight of 306.41 g/mol, XLogP of -0.22, 0 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(propan-2-ol);1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19767295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).