1-(phthalazin-1-ylhydrazinylidene)-2,3-dihydroinden-4-ol

C17H14N4O — CID 126826992

IUPAC1-(phthalazin-1-ylhydrazinylidene)-2,3-dihydroinden-4-ol
SMILESOc1cccc2c1CCC2=NNc1nncc2ccccc12
InChIInChI=1S/C17H14N4O/c22-16-7-3-6-13-14(16)8-9-15(13)19-21-17-12-5-2-1-4-11(12)10-18-20-17/h1-7,10,22H,8-9H2,(H,20,21)
InChIKeyNZBQKEJOXHXMJS-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.10
Rot. Bonds2

About 1-(phthalazin-1-ylhydrazinylidene)-2,3-dihydroinden-4-ol

1-(phthalazin-1-ylhydrazinylidene)-2,3-dihydroinden-4-ol (PubChem CID 126826992) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(phthalazin-1-ylhydrazinylidene)-2,3-dihydroinden-4-ol.

Molecular Properties

Compound Name1-(phthalazin-1-ylhydrazinylidene)-2,3-dihydroinden-4-ol
PubChem CID126826992
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name1-(phthalazin-1-ylhydrazinylidene)-2,3-dihydroinden-4-ol
SMILESOc1cccc2c1CCC2=NNc1nncc2ccccc12
InChIInChI=1S/C17H14N4O/c22-16-7-3-6-13-14(16)8-9-15(13)19-21-17-12-5-2-1-4-11(12)10-18-20-17/h1-7,10,22H,8-9H2,(H,20,21)
InChIKeyNZBQKEJOXHXMJS-UHFFFAOYSA-N
XLogP3.10
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(phthalazin-1-ylhydrazinylidene)-2,3-dihydroinden-4-ol?
The IUPAC name of 1-(phthalazin-1-ylhydrazinylidene)-2,3-dihydroinden-4-ol (CID 126826992) is 1-(phthalazin-1-ylhydrazinylidene)-2,3-dihydroinden-4-ol.
What is the SMILES notation for 1-(phthalazin-1-ylhydrazinylidene)-2,3-dihydroinden-4-ol?
The canonical SMILES for 1-(phthalazin-1-ylhydrazinylidene)-2,3-dihydroinden-4-ol is Oc1cccc2c1CCC2=NNc1nncc2ccccc12.
What is the InChIKey of 1-(phthalazin-1-ylhydrazinylidene)-2,3-dihydroinden-4-ol?
The InChIKey is NZBQKEJOXHXMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c22-16-7-3-6-13-14(16)8-9-15(13)19-21-17-12-5-2-1-4-11(12)10-18-20-17/h1-7,10,22H,8-9H2,(H,20,21).
What are the key properties of 1-(phthalazin-1-ylhydrazinylidene)-2,3-dihydroinden-4-ol?
1-(phthalazin-1-ylhydrazinylidene)-2,3-dihydroinden-4-ol has a molecular weight of 290.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phthalazin-1-ylhydrazinylidene)-2,3-dihydroinden-4-ol is sourced from PubChem (CID 126826992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).