2,4,6-triaminocyclohexane-1,3,5-triol;trihydrochloride

C6H18Cl3N3O3 — CID 71310942

IUPAC2,4,6-triaminocyclohexane-1,3,5-triol;trihydrochloride
SMILESCl.Cl.Cl.NC1C(O)C(N)C(O)C(N)C1O
InChIInChI=1S/C6H15N3O3.3ClH/c7-1-4(10)2(8)6(12)3(9)5(1)11;;;/h1-6,10-12H,7-9H2;3*1H
InChIKeyJJLVRAIJSKJOGF-UHFFFAOYSA-N
MW286.59 g/mol
LogP-2.67
Rot. Bonds

About 2,4,6-triaminocyclohexane-1,3,5-triol;trihydrochloride

2,4,6-triaminocyclohexane-1,3,5-triol;trihydrochloride (PubChem CID 71310942) has the molecular formula C6H18Cl3N3O3 and a molecular weight of 286.59 g/mol. Its IUPAC name is 2,4,6-triaminocyclohexane-1,3,5-triol;trihydrochloride.

Molecular Properties

Compound Name2,4,6-triaminocyclohexane-1,3,5-triol;trihydrochloride
PubChem CID71310942
Molecular FormulaC6H18Cl3N3O3
Molecular Weight286.59 g/mol
Exact Mass285.04
IUPAC Name2,4,6-triaminocyclohexane-1,3,5-triol;trihydrochloride
SMILESCl.Cl.Cl.NC1C(O)C(N)C(O)C(N)C1O
InChIInChI=1S/C6H15N3O3.3ClH/c7-1-4(10)2(8)6(12)3(9)5(1)11;;;/h1-6,10-12H,7-9H2;3*1H
InChIKeyJJLVRAIJSKJOGF-UHFFFAOYSA-N
XLogP-2.67
TPSA138.75 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.59
LogP ≤ 5-2.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triaminocyclohexane-1,3,5-triol;trihydrochloride?
The IUPAC name of 2,4,6-triaminocyclohexane-1,3,5-triol;trihydrochloride (CID 71310942) is 2,4,6-triaminocyclohexane-1,3,5-triol;trihydrochloride.
What is the SMILES notation for 2,4,6-triaminocyclohexane-1,3,5-triol;trihydrochloride?
The canonical SMILES for 2,4,6-triaminocyclohexane-1,3,5-triol;trihydrochloride is Cl.Cl.Cl.NC1C(O)C(N)C(O)C(N)C1O.
What is the InChIKey of 2,4,6-triaminocyclohexane-1,3,5-triol;trihydrochloride?
The InChIKey is JJLVRAIJSKJOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3.3ClH/c7-1-4(10)2(8)6(12)3(9)5(1)11;;;/h1-6,10-12H,7-9H2;3*1H.
What are the key properties of 2,4,6-triaminocyclohexane-1,3,5-triol;trihydrochloride?
2,4,6-triaminocyclohexane-1,3,5-triol;trihydrochloride has a molecular weight of 286.59 g/mol, XLogP of -2.67, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triaminocyclohexane-1,3,5-triol;trihydrochloride is sourced from PubChem (CID 71310942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).