benzotriazol-1-yloxy-bis(dimethylamino)phosphanium

C10H17N5OP+ — CID 19790982

IUPACbenzotriazol-1-yloxy-bis(dimethylamino)phosphanium
SMILESCN(C)[PH+](On1nnc2ccccc21)N(C)C
InChIInChI=1S/C10H16N5OP/c1-13(2)17(14(3)4)16-15-10-8-6-5-7-9(10)11-12-15/h5-8H,1-4H3/p+1
InChIKeyKSEWGVAMXLOPLD-UHFFFAOYSA-O
MW254.25 g/mol
LogP0.94
Rot. Bonds4

About benzotriazol-1-yloxy-bis(dimethylamino)phosphanium

benzotriazol-1-yloxy-bis(dimethylamino)phosphanium (PubChem CID 19790982) has the molecular formula C10H17N5OP+ and a molecular weight of 254.25 g/mol. Its IUPAC name is benzotriazol-1-yloxy-bis(dimethylamino)phosphanium.

Molecular Properties

Compound Namebenzotriazol-1-yloxy-bis(dimethylamino)phosphanium
PubChem CID19790982
Molecular FormulaC10H17N5OP+
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Namebenzotriazol-1-yloxy-bis(dimethylamino)phosphanium
SMILESCN(C)[PH+](On1nnc2ccccc21)N(C)C
InChIInChI=1S/C10H16N5OP/c1-13(2)17(14(3)4)16-15-10-8-6-5-7-9(10)11-12-15/h5-8H,1-4H3/p+1
InChIKeyKSEWGVAMXLOPLD-UHFFFAOYSA-O
XLogP0.94
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.94
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

dodecakis(benzotriazol-1-yloxy-bis(dimethylamino)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 19037436
methane;1-methoxybenzotriazole
CID 161160564
1-(benzotriazol-1-yloxy)-1-fluoro-N,N,N',N'-tetramethylmethanediamine
CID 141407796
N-[benzotriazol-1-yloxy(fluoro)phosphanyl]-N-methylmethanamine
CID 159393127
benzotriazol-1-yloxy-tris(dimethylamino)phosphanium tetrafluoroborate
CID 140856559
benzotriazol-1-yloxy-tert-butyl-diphenylsilane
CID 71061634
[benzotriazol-1-ylperoxy(dimethylamino)methylidene]-dimethylazanium chloride
CID 139908875
1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole
CID 67697086
1-(propan-2-yloxymethoxy)benzotriazole
CID 121265115
(2S)-1-(benzotriazol-1-yloxy)propan-2-ol
CID 130556874
CID 68739763
CID 68739763
1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine
CID 70885057

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yloxy-bis(dimethylamino)phosphanium?
The IUPAC name of benzotriazol-1-yloxy-bis(dimethylamino)phosphanium (CID 19790982) is benzotriazol-1-yloxy-bis(dimethylamino)phosphanium.
What is the SMILES notation for benzotriazol-1-yloxy-bis(dimethylamino)phosphanium?
The canonical SMILES for benzotriazol-1-yloxy-bis(dimethylamino)phosphanium is CN(C)[PH+](On1nnc2ccccc21)N(C)C.
What is the InChIKey of benzotriazol-1-yloxy-bis(dimethylamino)phosphanium?
The InChIKey is KSEWGVAMXLOPLD-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H16N5OP/c1-13(2)17(14(3)4)16-15-10-8-6-5-7-9(10)11-12-15/h5-8H,1-4H3/p+1.
What are the key properties of benzotriazol-1-yloxy-bis(dimethylamino)phosphanium?
benzotriazol-1-yloxy-bis(dimethylamino)phosphanium has a molecular weight of 254.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yloxy-bis(dimethylamino)phosphanium is sourced from PubChem (CID 19790982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).