tris(ethene-1,1,2,2-tetramine);nickel;hydrochloride

C6H25ClN12Ni — CID 173327942

IUPACtris(ethene-1,1,2,2-tetramine);nickel;hydrochloride
SMILESCl.NC(N)=C(N)N.NC(N)=C(N)N.NC(N)=C(N)N.[Ni]
InChIInChI=1S/3C2H8N4.ClH.Ni/c3*3-1(4)2(5)6;;/h3*3-6H2;1H;
InChIKeyGRLSKXCNGRRUGP-UHFFFAOYSA-N
MW359.50 g/mol
LogP-5.74
Rot. Bonds

About tris(ethene-1,1,2,2-tetramine);nickel;hydrochloride

tris(ethene-1,1,2,2-tetramine);nickel;hydrochloride (PubChem CID 173327942) has the molecular formula C6H25ClN12Ni and a molecular weight of 359.50 g/mol. Its IUPAC name is tris(ethene-1,1,2,2-tetramine);nickel;hydrochloride.

Molecular Properties

Compound Nametris(ethene-1,1,2,2-tetramine);nickel;hydrochloride
PubChem CID173327942
Molecular FormulaC6H25ClN12Ni
Molecular Weight359.50 g/mol
Exact Mass358.14
IUPAC Nametris(ethene-1,1,2,2-tetramine);nickel;hydrochloride
SMILESCl.NC(N)=C(N)N.NC(N)=C(N)N.NC(N)=C(N)N.[Ni]
InChIInChI=1S/3C2H8N4.ClH.Ni/c3*3-1(4)2(5)6;;/h3*3-6H2;1H;
InChIKeyGRLSKXCNGRRUGP-UHFFFAOYSA-N
XLogP-5.74
TPSA312.24 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500359.50
LogP ≤ 5-5.74
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of tris(ethene-1,1,2,2-tetramine);nickel;hydrochloride?
The IUPAC name of tris(ethene-1,1,2,2-tetramine);nickel;hydrochloride (CID 173327942) is tris(ethene-1,1,2,2-tetramine);nickel;hydrochloride.
What is the SMILES notation for tris(ethene-1,1,2,2-tetramine);nickel;hydrochloride?
The canonical SMILES for tris(ethene-1,1,2,2-tetramine);nickel;hydrochloride is Cl.NC(N)=C(N)N.NC(N)=C(N)N.NC(N)=C(N)N.[Ni].
What is the InChIKey of tris(ethene-1,1,2,2-tetramine);nickel;hydrochloride?
The InChIKey is GRLSKXCNGRRUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H8N4.ClH.Ni/c3*3-1(4)2(5)6;;/h3*3-6H2;1H;.
What are the key properties of tris(ethene-1,1,2,2-tetramine);nickel;hydrochloride?
tris(ethene-1,1,2,2-tetramine);nickel;hydrochloride has a molecular weight of 359.50 g/mol, XLogP of -5.74, 0 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(ethene-1,1,2,2-tetramine);nickel;hydrochloride is sourced from PubChem (CID 173327942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).