2H-benzotriazole;formaldehyde;phosphoric acid

C7H10N3O5P — CID 172709237

IUPAC2H-benzotriazole;formaldehyde;phosphoric acid
SMILESC=O.O=P(O)(O)O.c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.CH2O.H3O4P/c1-2-4-6-5(3-1)7-9-8-6;1-2;1-5(2,3)4/h1-4H,(H,7,8,9);1H2;(H3,1,2,3,4)
InChIKeyFAEIIQYNZQRLQF-UHFFFAOYSA-N
MW247.15 g/mol
LogP-0.16
Rot. Bonds

About 2H-benzotriazole;formaldehyde;phosphoric acid

2H-benzotriazole;formaldehyde;phosphoric acid (PubChem CID 172709237) has the molecular formula C7H10N3O5P and a molecular weight of 247.15 g/mol. Its IUPAC name is 2H-benzotriazole;formaldehyde;phosphoric acid.

Molecular Properties

Compound Name2H-benzotriazole;formaldehyde;phosphoric acid
PubChem CID172709237
Molecular FormulaC7H10N3O5P
Molecular Weight247.15 g/mol
Exact Mass247.04
IUPAC Name2H-benzotriazole;formaldehyde;phosphoric acid
SMILESC=O.O=P(O)(O)O.c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.CH2O.H3O4P/c1-2-4-6-5(3-1)7-9-8-6;1-2;1-5(2,3)4/h1-4H,(H,7,8,9);1H2;(H3,1,2,3,4)
InChIKeyFAEIIQYNZQRLQF-UHFFFAOYSA-N
XLogP-0.16
TPSA136.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2H-benzotriazole;phosphoric acid;1,1,3,3-tetramethylurea
CID 175312875
trizinc;2H-benzotriazole;diphosphate
CID 159936185
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
azane;2H-benzotriazole;phosphorous acid
CID 175269675
2H-benzotriazole;butanedioic acid
CID 160818009
2H-benzotriazole;1,1'-biphenyl
CID 161096180
formaldehyde;bis(1,5-naphthyridine);phosphoric acid
CID 175591589

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazole;formaldehyde;phosphoric acid?
The IUPAC name of 2H-benzotriazole;formaldehyde;phosphoric acid (CID 172709237) is 2H-benzotriazole;formaldehyde;phosphoric acid.
What is the SMILES notation for 2H-benzotriazole;formaldehyde;phosphoric acid?
The canonical SMILES for 2H-benzotriazole;formaldehyde;phosphoric acid is C=O.O=P(O)(O)O.c1ccc2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazole;formaldehyde;phosphoric acid?
The InChIKey is FAEIIQYNZQRLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.CH2O.H3O4P/c1-2-4-6-5(3-1)7-9-8-6;1-2;1-5(2,3)4/h1-4H,(H,7,8,9);1H2;(H3,1,2,3,4).
What are the key properties of 2H-benzotriazole;formaldehyde;phosphoric acid?
2H-benzotriazole;formaldehyde;phosphoric acid has a molecular weight of 247.15 g/mol, XLogP of -0.16, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazole;formaldehyde;phosphoric acid is sourced from PubChem (CID 172709237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).