bis(dimethylamino)-[methyl(triazole-1-carbonyl)amino]phosphanium hexafluorophosphate

C8H18F6N6OP2 — CID 140986928

IUPACbis(dimethylamino)-[methyl(triazole-1-carbonyl)amino]phosphanium hexafluorophosphate
SMILESCN(C)[PH+](N(C)C)N(C)C(=O)n1ccnn1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H17N6OP.F6P/c1-11(2)16(12(3)4)13(5)8(15)14-7-6-9-10-14;1-7(2,3,4,5)6/h6-7H,1-5H3;/q;-1/p+1
InChIKeyVVLIZGADUGKNEV-UHFFFAOYSA-O
MW390.21 g/mol
LogP3.64
Rot. Bonds3

About bis(dimethylamino)-[methyl(triazole-1-carbonyl)amino]phosphanium hexafluorophosphate

bis(dimethylamino)-[methyl(triazole-1-carbonyl)amino]phosphanium hexafluorophosphate (PubChem CID 140986928) has the molecular formula C8H18F6N6OP2 and a molecular weight of 390.21 g/mol. Its IUPAC name is bis(dimethylamino)-[methyl(triazole-1-carbonyl)amino]phosphanium hexafluorophosphate.

Molecular Properties

Compound Namebis(dimethylamino)-[methyl(triazole-1-carbonyl)amino]phosphanium hexafluorophosphate
PubChem CID140986928
Molecular FormulaC8H18F6N6OP2
Molecular Weight390.21 g/mol
Exact Mass390.09
IUPAC Namebis(dimethylamino)-[methyl(triazole-1-carbonyl)amino]phosphanium hexafluorophosphate
SMILESCN(C)[PH+](N(C)C)N(C)C(=O)n1ccnn1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H17N6OP.F6P/c1-11(2)16(12(3)4)13(5)8(15)14-7-6-9-10-14;1-7(2,3,4,5)6/h6-7H,1-5H3;/q;-1/p+1
InChIKeyVVLIZGADUGKNEV-UHFFFAOYSA-O
XLogP3.64
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyltriazole-1-carboxamide
CID 151801601
(4-fluoro-5-propan-2-yltriazol-1-yl)-(triazol-1-yl)methanone
CID 90939039
carbamoyl triazole-1-carboxylate
CID 140664884
carboxy(triazol-1-yl)carbamic acid
CID 67445650
2-octyl-1-(triazol-1-yl)dodecan-1-one
CID 19788746
N,N-dimethylformamide;1-hydroxytriazole
CID 174891213
[4,5-bis(2-methylpropyl)triazol-1-yl]-(triazol-1-yl)methanone
CID 90997707
[5-chloro-4-(2-methylpropyl)triazol-1-yl]-(triazol-1-yl)methanone
CID 91594442
(4,5-ditert-butyltriazol-1-yl)-(triazol-1-yl)methanone
CID 91031356
(5-bromo-4-ethyltriazol-1-yl)-(triazol-1-yl)methanone
CID 91424998
morpholine;triazole-1-carboxylic acid
CID 161053581
N-methoxy-N-methyl-2-(triazol-1-yl)acetamide
CID 22270554

Frequently Asked Questions

What is the IUPAC name of bis(dimethylamino)-[methyl(triazole-1-carbonyl)amino]phosphanium hexafluorophosphate?
The IUPAC name of bis(dimethylamino)-[methyl(triazole-1-carbonyl)amino]phosphanium hexafluorophosphate (CID 140986928) is bis(dimethylamino)-[methyl(triazole-1-carbonyl)amino]phosphanium hexafluorophosphate.
What is the SMILES notation for bis(dimethylamino)-[methyl(triazole-1-carbonyl)amino]phosphanium hexafluorophosphate?
The canonical SMILES for bis(dimethylamino)-[methyl(triazole-1-carbonyl)amino]phosphanium hexafluorophosphate is CN(C)[PH+](N(C)C)N(C)C(=O)n1ccnn1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of bis(dimethylamino)-[methyl(triazole-1-carbonyl)amino]phosphanium hexafluorophosphate?
The InChIKey is VVLIZGADUGKNEV-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17N6OP.F6P/c1-11(2)16(12(3)4)13(5)8(15)14-7-6-9-10-14;1-7(2,3,4,5)6/h6-7H,1-5H3;/q;-1/p+1.
What are the key properties of bis(dimethylamino)-[methyl(triazole-1-carbonyl)amino]phosphanium hexafluorophosphate?
bis(dimethylamino)-[methyl(triazole-1-carbonyl)amino]phosphanium hexafluorophosphate has a molecular weight of 390.21 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylamino)-[methyl(triazole-1-carbonyl)amino]phosphanium hexafluorophosphate is sourced from PubChem (CID 140986928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).