formaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride

C5H12Cl4N8O2Ti — CID 6455262

IUPACformaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride
SMILESC=O.NC(N)=O.Nc1nc(N)nc(N)n1.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C3H6N6.CH4N2O.CH2O.4ClH.Ti/c4-1-7-2(5)9-3(6)8-1;2-1(3)4;1-2;;;;;/h(H6,4,5,6,7,8,9);(H4,2,3,4);1H2;4*1H;/q;;;;;;;+4/p-4
InChIKeyCEUYPWRRTRIURF-UHFFFAOYSA-J
MW405.88 g/mol
LogP-14.53
Rot. Bonds

About formaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride

formaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride (PubChem CID 6455262) has the molecular formula C5H12Cl4N8O2Ti and a molecular weight of 405.88 g/mol. Its IUPAC name is formaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride.

Molecular Properties

Compound Nameformaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride
PubChem CID6455262
Molecular FormulaC5H12Cl4N8O2Ti
Molecular Weight405.88 g/mol
Exact Mass403.93
IUPAC Nameformaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride
SMILESC=O.NC(N)=O.Nc1nc(N)nc(N)n1.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C3H6N6.CH4N2O.CH2O.4ClH.Ti/c4-1-7-2(5)9-3(6)8-1;2-1(3)4;1-2;;;;;/h(H6,4,5,6,7,8,9);(H4,2,3,4);1H2;4*1H;/q;;;;;;;+4/p-4
InChIKeyCEUYPWRRTRIURF-UHFFFAOYSA-J
XLogP-14.53
TPSA202.91 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 5-14.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride?
The IUPAC name of formaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride (CID 6455262) is formaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride.
What is the SMILES notation for formaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride?
The canonical SMILES for formaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride is C=O.NC(N)=O.Nc1nc(N)nc(N)n1.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of formaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride?
The InChIKey is CEUYPWRRTRIURF-UHFFFAOYSA-J. The full InChI is InChI=1S/C3H6N6.CH4N2O.CH2O.4ClH.Ti/c4-1-7-2(5)9-3(6)8-1;2-1(3)4;1-2;;;;;/h(H6,4,5,6,7,8,9);(H4,2,3,4);1H2;4*1H;/q;;;;;;;+4/p-4.
What are the key properties of formaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride?
formaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride has a molecular weight of 405.88 g/mol, XLogP of -14.53, 0 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride is sourced from PubChem (CID 6455262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).