cyanamide;titanium

CH2N2Ti — CID 172844967

IUPACcyanamide;titanium
SMILESN#CN.[Ti]
InChIInChI=1S/CH2N2.Ti/c2-1-3;/h2H2;
InChIKeyXHHGQMALJVPVFU-UHFFFAOYSA-N
MW89.91 g/mol
LogP-0.58
Rot. Bonds

About cyanamide;titanium

cyanamide;titanium (PubChem CID 172844967) has the molecular formula CH2N2Ti and a molecular weight of 89.91 g/mol. Its IUPAC name is cyanamide;titanium.

Molecular Properties

Compound Namecyanamide;titanium
PubChem CID172844967
Molecular FormulaCH2N2Ti
Molecular Weight89.91 g/mol
Exact Mass89.97
IUPAC Namecyanamide;titanium
SMILESN#CN.[Ti]
InChIInChI=1S/CH2N2.Ti/c2-1-3;/h2H2;
InChIKeyXHHGQMALJVPVFU-UHFFFAOYSA-N
XLogP-0.58
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.91
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

CID 88512913
CID 88512913
strontium cyanamide
CID 22399917
disodium;cyanamide
CID 3015093
cyanamide;phosphane
CID 87330007
lithium cyanamide
CID 21431940
magnesium;cyanamide;hydride
CID 173213392
potassium;cyanamide;hydron
CID 173042176
CID 87440008
CID 87440008
calcium;cyanamide;hydride
CID 175350827
NCN radical
CID 5384683
cyanamide;nitrous acid
CID 174714431
cyanamide;piperazine
CID 87191192

Frequently Asked Questions

What is the IUPAC name of cyanamide;titanium?
The IUPAC name of cyanamide;titanium (CID 172844967) is cyanamide;titanium.
What is the SMILES notation for cyanamide;titanium?
The canonical SMILES for cyanamide;titanium is N#CN.[Ti].
What is the InChIKey of cyanamide;titanium?
The InChIKey is XHHGQMALJVPVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2.Ti/c2-1-3;/h2H2;.
What are the key properties of cyanamide;titanium?
cyanamide;titanium has a molecular weight of 89.91 g/mol, XLogP of -0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyanamide;titanium is sourced from PubChem (CID 172844967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).