azane;2H-benzotriazole;phosphorous acid

C6H11N4O3P — CID 175269675

IUPACazane;2H-benzotriazole;phosphorous acid
SMILESN.OP(O)O.c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.H3N.H3O3P/c1-2-4-6-5(3-1)7-9-8-6;;1-4(2)3/h1-4H,(H,7,8,9);1H3;1-3H
InChIKeyMMZHHRSJCOZPQE-UHFFFAOYSA-N
MW218.15 g/mol
LogP0.31
Rot. Bonds

About azane;2H-benzotriazole;phosphorous acid

azane;2H-benzotriazole;phosphorous acid (PubChem CID 175269675) has the molecular formula C6H11N4O3P and a molecular weight of 218.15 g/mol. Its IUPAC name is azane;2H-benzotriazole;phosphorous acid.

Molecular Properties

Compound Nameazane;2H-benzotriazole;phosphorous acid
PubChem CID175269675
Molecular FormulaC6H11N4O3P
Molecular Weight218.15 g/mol
Exact Mass218.06
IUPAC Nameazane;2H-benzotriazole;phosphorous acid
SMILESN.OP(O)O.c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.H3N.H3O3P/c1-2-4-6-5(3-1)7-9-8-6;;1-4(2)3/h1-4H,(H,7,8,9);1H3;1-3H
InChIKeyMMZHHRSJCOZPQE-UHFFFAOYSA-N
XLogP0.31
TPSA137.26 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 50.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze azane;2H-benzotriazole;phosphorous acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-benzotriazole;dihydrofluoride
CID 175082748
2H-benzotriazole;praseodymium
CID 160995657
2H-benzotriazole;hydrate
CID 22320913
2H-benzotriazole;iron
CID 67992309
2H-cyclodeca[d]triazole
CID 135280907
benzene-1,4-diol;2H-benzotriazole
CID 160549478
2H-benzotriazole;1,1'-biphenyl
CID 161096180
CID 174734278
CID 174734278
2H-benzotriazole;formaldehyde;phosphoric acid
CID 172709237
2H-benzotriazole;butanedioic acid
CID 160818009
benzenethiol;2H-benzotriazole
CID 158272752
2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate
CID 175527851

Frequently Asked Questions

What is the IUPAC name of azane;2H-benzotriazole;phosphorous acid?
The IUPAC name of azane;2H-benzotriazole;phosphorous acid (CID 175269675) is azane;2H-benzotriazole;phosphorous acid.
What is the SMILES notation for azane;2H-benzotriazole;phosphorous acid?
The canonical SMILES for azane;2H-benzotriazole;phosphorous acid is N.OP(O)O.c1ccc2n[nH]nc2c1.
What is the InChIKey of azane;2H-benzotriazole;phosphorous acid?
The InChIKey is MMZHHRSJCOZPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.H3N.H3O3P/c1-2-4-6-5(3-1)7-9-8-6;;1-4(2)3/h1-4H,(H,7,8,9);1H3;1-3H.
What are the key properties of azane;2H-benzotriazole;phosphorous acid?
azane;2H-benzotriazole;phosphorous acid has a molecular weight of 218.15 g/mol, XLogP of 0.31, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2H-benzotriazole;phosphorous acid is sourced from PubChem (CID 175269675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).