tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)

C17H37N5Ti — CID 169023801

IUPACtris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)
SMILESCC[N-]CC.CC[N-]CC.CC[N-]CC.Cc1cc(C)[n-]n1.[Ti+4]
InChIInChI=1S/C5H7N2.3C4H10N.Ti/c1-4-3-5(2)7-6-4;3*1-3-5-4-2;/h3H,1-2H3;3*3-4H2,1-2H3;/q4*-1;+4
InChIKeyWZNFEDQOKUXSAX-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.85
Rot. Bonds6

About tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)

tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+) (PubChem CID 169023801) has the molecular formula C17H37N5Ti and a molecular weight of 359.39 g/mol. Its IUPAC name is tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+).

Molecular Properties

Compound Nametris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)
PubChem CID169023801
Molecular FormulaC17H37N5Ti
Molecular Weight359.39 g/mol
Exact Mass359.25
IUPAC Nametris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)
SMILESCC[N-]CC.CC[N-]CC.CC[N-]CC.Cc1cc(C)[n-]n1.[Ti+4]
InChIInChI=1S/C5H7N2.3C4H10N.Ti/c1-4-3-5(2)7-6-4;3*1-3-5-4-2;/h3H,1-2H3;3*3-4H2,1-2H3;/q4*-1;+4
InChIKeyWZNFEDQOKUXSAX-UHFFFAOYSA-N
XLogP4.85
TPSA69.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)?
The IUPAC name of tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+) (CID 169023801) is tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+).
What is the SMILES notation for tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)?
The canonical SMILES for tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+) is CC[N-]CC.CC[N-]CC.CC[N-]CC.Cc1cc(C)[n-]n1.[Ti+4].
What is the InChIKey of tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)?
The InChIKey is WZNFEDQOKUXSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2.3C4H10N.Ti/c1-4-3-5(2)7-6-4;3*1-3-5-4-2;/h3H,1-2H3;3*3-4H2,1-2H3;/q4*-1;+4.
What are the key properties of tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)?
tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+) has a molecular weight of 359.39 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+) is sourced from PubChem (CID 169023801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).