methane;1,3,5,7-triazaphosphocane

C6H20N3P — CID 87611228

IUPACmethane;1,3,5,7-triazaphosphocane
SMILESC.C.C1NCNCPCN1
InChIInChI=1S/C4H12N3P.2CH4/c1-5-2-7-4-8-3-6-1;;/h5-8H,1-4H2;2*1H4
InChIKeyWDYPWVAFNNDLRQ-UHFFFAOYSA-N
MW165.22 g/mol
LogP0.55
Rot. Bonds

About methane;1,3,5,7-triazaphosphocane

methane;1,3,5,7-triazaphosphocane (PubChem CID 87611228) has the molecular formula C6H20N3P and a molecular weight of 165.22 g/mol. Its IUPAC name is methane;1,3,5,7-triazaphosphocane.

Molecular Properties

Compound Namemethane;1,3,5,7-triazaphosphocane
PubChem CID87611228
Molecular FormulaC6H20N3P
Molecular Weight165.22 g/mol
Exact Mass165.14
IUPAC Namemethane;1,3,5,7-triazaphosphocane
SMILESC.C.C1NCNCPCN1
InChIInChI=1S/C4H12N3P.2CH4/c1-5-2-7-4-8-3-6-1;;/h5-8H,1-4H2;2*1H4
InChIKeyWDYPWVAFNNDLRQ-UHFFFAOYSA-N
XLogP0.55
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 86609985
CID 86609985
1,3,5,8,12-pentazacyclotetradecane
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potassium;1,3,5-triazinane;acetate
CID 162319919
1,3,5,7-tetrazabicyclo[3.3.1]nonane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane;1,3,5-triazinane
CID 160725872
benzene;imidazolidine
CID 174737453
1,3-diazacyclotridecane
CID 67161330
imidazolidine;methanol
CID 160892789
tris(prop-2-enoic acid);1,3,5-triazinane
CID 174985722
1-(3-chloroprop-2-enyl)-1,3,5,7-tetrazocane;methane
CID 173216509

Frequently Asked Questions

What is the IUPAC name of methane;1,3,5,7-triazaphosphocane?
The IUPAC name of methane;1,3,5,7-triazaphosphocane (CID 87611228) is methane;1,3,5,7-triazaphosphocane.
What is the SMILES notation for methane;1,3,5,7-triazaphosphocane?
The canonical SMILES for methane;1,3,5,7-triazaphosphocane is C.C.C1NCNCPCN1.
What is the InChIKey of methane;1,3,5,7-triazaphosphocane?
The InChIKey is WDYPWVAFNNDLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N3P.2CH4/c1-5-2-7-4-8-3-6-1;;/h5-8H,1-4H2;2*1H4.
What are the key properties of methane;1,3,5,7-triazaphosphocane?
methane;1,3,5,7-triazaphosphocane has a molecular weight of 165.22 g/mol, XLogP of 0.55, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,3,5,7-triazaphosphocane is sourced from PubChem (CID 87611228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).