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

C21H54N6O6 — CID 19767296

IUPAChexakis(propan-2-ol);1,3,5-triazine-2,4,6-triamine
SMILESCC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.6C3H8O/c4-1-7-2(5)9-3(6)8-1;6*1-3(2)4/h(H6,4,5,6,7,8,9);6*3-4H,1-2H3
InChIKeyAXQNRSNGJWMSNQ-UHFFFAOYSA-N
MW486.70 g/mol
LogP0.94
Rot. Bonds

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

hexakis(propan-2-ol);1,3,5-triazine-2,4,6-triamine (PubChem CID 19767296) has the molecular formula C21H54N6O6 and a molecular weight of 486.70 g/mol. Its IUPAC name is hexakis(propan-2-ol);1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namehexakis(propan-2-ol);1,3,5-triazine-2,4,6-triamine
PubChem CID19767296
Molecular FormulaC21H54N6O6
Molecular Weight486.70 g/mol
Exact Mass486.41
IUPAC Namehexakis(propan-2-ol);1,3,5-triazine-2,4,6-triamine
SMILESCC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.6C3H8O/c4-1-7-2(5)9-3(6)8-1;6*1-3(2)4/h(H6,4,5,6,7,8,9);6*3-4H,1-2H3
InChIKeyAXQNRSNGJWMSNQ-UHFFFAOYSA-N
XLogP0.94
TPSA238.11 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500486.70
LogP ≤ 50.94
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of hexakis(propan-2-ol);1,3,5-triazine-2,4,6-triamine?
The IUPAC name of hexakis(propan-2-ol);1,3,5-triazine-2,4,6-triamine (CID 19767296) is hexakis(propan-2-ol);1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for hexakis(propan-2-ol);1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for hexakis(propan-2-ol);1,3,5-triazine-2,4,6-triamine is CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.Nc1nc(N)nc(N)n1.
What is the InChIKey of hexakis(propan-2-ol);1,3,5-triazine-2,4,6-triamine?
The InChIKey is AXQNRSNGJWMSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.6C3H8O/c4-1-7-2(5)9-3(6)8-1;6*1-3(2)4/h(H6,4,5,6,7,8,9);6*3-4H,1-2H3.
What are the key properties of hexakis(propan-2-ol);1,3,5-triazine-2,4,6-triamine?
hexakis(propan-2-ol);1,3,5-triazine-2,4,6-triamine has a molecular weight of 486.70 g/mol, XLogP of 0.94, 0 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(propan-2-ol);1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19767296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).