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

C6H15N3O3 — CID 10197931

IUPAC2,4,6-triaminocyclohexane-1,3,5-triol
SMILESNC1C(O)C(N)C(O)C(N)C1O
InChIInChI=1S/C6H15N3O3/c7-1-4(10)2(8)6(12)3(9)5(1)11/h1-6,10-12H,7-9H2
InChIKeyOKPBGFSFTUQDJP-UHFFFAOYSA-N
MW177.20 g/mol
LogP-3.94
Rot. Bonds

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

2,4,6-triaminocyclohexane-1,3,5-triol (PubChem CID 10197931) has the molecular formula C6H15N3O3 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2,4,6-triaminocyclohexane-1,3,5-triol.

Molecular Properties

Compound Name2,4,6-triaminocyclohexane-1,3,5-triol
PubChem CID10197931
Molecular FormulaC6H15N3O3
Molecular Weight177.20 g/mol
Exact Mass177.11
IUPAC Name2,4,6-triaminocyclohexane-1,3,5-triol
SMILESNC1C(O)C(N)C(O)C(N)C1O
InChIInChI=1S/C6H15N3O3/c7-1-4(10)2(8)6(12)3(9)5(1)11/h1-6,10-12H,7-9H2
InChIKeyOKPBGFSFTUQDJP-UHFFFAOYSA-N
XLogP-3.94
TPSA138.75 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500177.20
LogP ≤ 5-3.94
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?
The IUPAC name of 2,4,6-triaminocyclohexane-1,3,5-triol (CID 10197931) is 2,4,6-triaminocyclohexane-1,3,5-triol.
What is the SMILES notation for 2,4,6-triaminocyclohexane-1,3,5-triol?
The canonical SMILES for 2,4,6-triaminocyclohexane-1,3,5-triol is NC1C(O)C(N)C(O)C(N)C1O.
What is the InChIKey of 2,4,6-triaminocyclohexane-1,3,5-triol?
The InChIKey is OKPBGFSFTUQDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3/c7-1-4(10)2(8)6(12)3(9)5(1)11/h1-6,10-12H,7-9H2.
What are the key properties of 2,4,6-triaminocyclohexane-1,3,5-triol?
2,4,6-triaminocyclohexane-1,3,5-triol has a molecular weight of 177.20 g/mol, XLogP of -3.94, 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 is sourced from PubChem (CID 10197931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).