(1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-ylidene)azanide

C7H12N4P- — CID 163825249

IUPAC(1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-ylidene)azanide
SMILESC=C1N(C)C(=[N-])N(C)C(=C)N1P
InChIInChI=1S/C7H12N4P/c1-5-9(3)7(8)10(4)6(2)11(5)12/h1-2,12H2,3-4H3/q-1
InChIKeyNYXGUWJEPOXRFQ-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.82
Rot. Bonds

About (1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-ylidene)azanide

(1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-ylidene)azanide (PubChem CID 163825249) has the molecular formula C7H12N4P- and a molecular weight of 183.17 g/mol. Its IUPAC name is (1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-ylidene)azanide.

Molecular Properties

Compound Name(1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-ylidene)azanide
PubChem CID163825249
Molecular FormulaC7H12N4P-
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name(1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-ylidene)azanide
SMILESC=C1N(C)C(=[N-])N(C)C(=C)N1P
InChIInChI=1S/C7H12N4P/c1-5-9(3)7(8)10(4)6(2)11(5)12/h1-2,12H2,3-4H3/q-1
InChIKeyNYXGUWJEPOXRFQ-UHFFFAOYSA-N
XLogP0.82
TPSA32.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,3-Dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-imine
CID 163825250

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-ylidene)azanide?
The IUPAC name of (1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-ylidene)azanide (CID 163825249) is (1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-ylidene)azanide.
What is the SMILES notation for (1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-ylidene)azanide?
The canonical SMILES for (1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-ylidene)azanide is C=C1N(C)C(=[N-])N(C)C(=C)N1P.
What is the InChIKey of (1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-ylidene)azanide?
The InChIKey is NYXGUWJEPOXRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4P/c1-5-9(3)7(8)10(4)6(2)11(5)12/h1-2,12H2,3-4H3/q-1.
What are the key properties of (1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-ylidene)azanide?
(1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-ylidene)azanide has a molecular weight of 183.17 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-ylidene)azanide is sourced from PubChem (CID 163825249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).