triazanium;ethanolate;chloride

C4H22ClN3O2 — CID 141132734

IUPACtriazanium;ethanolate;chloride
SMILESCC[O-].CC[O-].[Cl-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/2C2H5O.ClH.3H3N/c2*1-2-3;;;;/h2*2H2,1H3;1H;3*1H3/q2*-1;;;;/p+2
InChIKeyMRZQBSDRBYPEPN-UHFFFAOYSA-P
MW179.69 g/mol
LogP-3.13
Rot. Bonds

About triazanium;ethanolate;chloride

triazanium;ethanolate;chloride (PubChem CID 141132734) has the molecular formula C4H22ClN3O2 and a molecular weight of 179.69 g/mol. Its IUPAC name is triazanium;ethanolate;chloride.

Molecular Properties

Compound Nametriazanium;ethanolate;chloride
PubChem CID141132734
Molecular FormulaC4H22ClN3O2
Molecular Weight179.69 g/mol
Exact Mass179.14
IUPAC Nametriazanium;ethanolate;chloride
SMILESCC[O-].CC[O-].[Cl-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/2C2H5O.ClH.3H3N/c2*1-2-3;;;;/h2*2H2,1H3;1H;3*1H3/q2*-1;;;;/p+2
InChIKeyMRZQBSDRBYPEPN-UHFFFAOYSA-P
XLogP-3.13
TPSA155.62 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 5-3.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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calcium;ethanolate;chloride;hexahydrate
CID 141411480
ethanolate;vanadium(4+);chloride;hydroxide
CID 102059905
potassium ethanolate
CID 23670592
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CID 160956004
erbium(3+);ethanolate
CID 14029842
ethanolate;niobium
CID 18534493
CID 159434150
CID 159434150

Frequently Asked Questions

What is the IUPAC name of triazanium;ethanolate;chloride?
The IUPAC name of triazanium;ethanolate;chloride (CID 141132734) is triazanium;ethanolate;chloride.
What is the SMILES notation for triazanium;ethanolate;chloride?
The canonical SMILES for triazanium;ethanolate;chloride is CC[O-].CC[O-].[Cl-].[NH4+].[NH4+].[NH4+].
What is the InChIKey of triazanium;ethanolate;chloride?
The InChIKey is MRZQBSDRBYPEPN-UHFFFAOYSA-P. The full InChI is InChI=1S/2C2H5O.ClH.3H3N/c2*1-2-3;;;;/h2*2H2,1H3;1H;3*1H3/q2*-1;;;;/p+2.
What are the key properties of triazanium;ethanolate;chloride?
triazanium;ethanolate;chloride has a molecular weight of 179.69 g/mol, XLogP of -3.13, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triazanium;ethanolate;chloride is sourced from PubChem (CID 141132734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).