1,3,5-triazinane;trihydrochloride

C3H12Cl3N3 — CID 155291426

IUPAC1,3,5-triazinane;trihydrochloride
SMILESC1NCNCN1.Cl.Cl.Cl
InChIInChI=1S/C3H9N3.3ClH/c1-4-2-6-3-5-1;;;/h4-6H,1-3H2;3*1H
InChIKeyPJJXXVSPEDBLLN-UHFFFAOYSA-N
MW196.51 g/mol
LogP-0.09
Rot. Bonds

About 1,3,5-triazinane;trihydrochloride

1,3,5-triazinane;trihydrochloride (PubChem CID 155291426) has the molecular formula C3H12Cl3N3 and a molecular weight of 196.51 g/mol. Its IUPAC name is 1,3,5-triazinane;trihydrochloride.

Molecular Properties

Compound Name1,3,5-triazinane;trihydrochloride
PubChem CID155291426
Molecular FormulaC3H12Cl3N3
Molecular Weight196.51 g/mol
Exact Mass195.01
IUPAC Name1,3,5-triazinane;trihydrochloride
SMILESC1NCNCN1.Cl.Cl.Cl
InChIInChI=1S/C3H9N3.3ClH/c1-4-2-6-3-5-1;;;/h4-6H,1-3H2;3*1H
InChIKeyPJJXXVSPEDBLLN-UHFFFAOYSA-N
XLogP-0.09
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.51
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazinane;trihydrochloride?
The IUPAC name of 1,3,5-triazinane;trihydrochloride (CID 155291426) is 1,3,5-triazinane;trihydrochloride.
What is the SMILES notation for 1,3,5-triazinane;trihydrochloride?
The canonical SMILES for 1,3,5-triazinane;trihydrochloride is C1NCNCN1.Cl.Cl.Cl.
What is the InChIKey of 1,3,5-triazinane;trihydrochloride?
The InChIKey is PJJXXVSPEDBLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3.3ClH/c1-4-2-6-3-5-1;;;/h4-6H,1-3H2;3*1H.
What are the key properties of 1,3,5-triazinane;trihydrochloride?
1,3,5-triazinane;trihydrochloride has a molecular weight of 196.51 g/mol, XLogP of -0.09, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazinane;trihydrochloride is sourced from PubChem (CID 155291426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).