3-ethyl-2-propyl-1H-benzotriazole;phosphoric acid

C11H20N3O4P — CID 175175146

IUPAC3-ethyl-2-propyl-1H-benzotriazole;phosphoric acid
SMILESCCCN1Nc2ccccc2N1CC.O=P(O)(O)O
InChIInChI=1S/C11H17N3.H3O4P/c1-3-9-14-12-10-7-5-6-8-11(10)13(14)4-2;1-5(2,3)4/h5-8,12H,3-4,9H2,1-2H3;(H3,1,2,3,4)
InChIKeyOJMVNKUECSCVNJ-UHFFFAOYSA-N
MW289.27 g/mol
LogP1.55
Rot. Bonds3

About 3-ethyl-2-propyl-1H-benzotriazole;phosphoric acid

3-ethyl-2-propyl-1H-benzotriazole;phosphoric acid (PubChem CID 175175146) has the molecular formula C11H20N3O4P and a molecular weight of 289.27 g/mol. Its IUPAC name is 3-ethyl-2-propyl-1H-benzotriazole;phosphoric acid.

Molecular Properties

Compound Name3-ethyl-2-propyl-1H-benzotriazole;phosphoric acid
PubChem CID175175146
Molecular FormulaC11H20N3O4P
Molecular Weight289.27 g/mol
Exact Mass289.12
IUPAC Name3-ethyl-2-propyl-1H-benzotriazole;phosphoric acid
SMILESCCCN1Nc2ccccc2N1CC.O=P(O)(O)O
InChIInChI=1S/C11H17N3.H3O4P/c1-3-9-14-12-10-7-5-6-8-11(10)13(14)4-2;1-5(2,3)4/h5-8,12H,3-4,9H2,1-2H3;(H3,1,2,3,4)
InChIKeyOJMVNKUECSCVNJ-UHFFFAOYSA-N
XLogP1.55
TPSA96.27 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propyl-1H-benzotriazole;phosphoric acid?
The IUPAC name of 3-ethyl-2-propyl-1H-benzotriazole;phosphoric acid (CID 175175146) is 3-ethyl-2-propyl-1H-benzotriazole;phosphoric acid.
What is the SMILES notation for 3-ethyl-2-propyl-1H-benzotriazole;phosphoric acid?
The canonical SMILES for 3-ethyl-2-propyl-1H-benzotriazole;phosphoric acid is CCCN1Nc2ccccc2N1CC.O=P(O)(O)O.
What is the InChIKey of 3-ethyl-2-propyl-1H-benzotriazole;phosphoric acid?
The InChIKey is OJMVNKUECSCVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.H3O4P/c1-3-9-14-12-10-7-5-6-8-11(10)13(14)4-2;1-5(2,3)4/h5-8,12H,3-4,9H2,1-2H3;(H3,1,2,3,4).
What are the key properties of 3-ethyl-2-propyl-1H-benzotriazole;phosphoric acid?
3-ethyl-2-propyl-1H-benzotriazole;phosphoric acid has a molecular weight of 289.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propyl-1H-benzotriazole;phosphoric acid is sourced from PubChem (CID 175175146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).