3-cyclohexyl-2-(phthalazin-1-yldiazenyl)propanoic acid

C17H20N4O2 — CID 91384360

IUPAC3-cyclohexyl-2-(phthalazin-1-yldiazenyl)propanoic acid
SMILESO=C(O)C(CC1CCCCC1)/N=N/c1nncc2ccccc12
InChIInChI=1S/C17H20N4O2/c22-17(23)15(10-12-6-2-1-3-7-12)19-21-16-14-9-5-4-8-13(14)11-18-20-16/h4-5,8-9,11-12,15H,1-3,6-7,10H2,(H,22,23)/b21-19+
InChIKeyQYFFZHZSNOXSQJ-XUTLUUPISA-N
MW312.37 g/mol
LogP4.14
Rot. Bonds5

About 3-cyclohexyl-2-(phthalazin-1-yldiazenyl)propanoic acid

3-cyclohexyl-2-(phthalazin-1-yldiazenyl)propanoic acid (PubChem CID 91384360) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-cyclohexyl-2-(phthalazin-1-yldiazenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-(phthalazin-1-yldiazenyl)propanoic acid
PubChem CID91384360
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-cyclohexyl-2-(phthalazin-1-yldiazenyl)propanoic acid
SMILESO=C(O)C(CC1CCCCC1)/N=N/c1nncc2ccccc12
InChIInChI=1S/C17H20N4O2/c22-17(23)15(10-12-6-2-1-3-7-12)19-21-16-14-9-5-4-8-13(14)11-18-20-16/h4-5,8-9,11-12,15H,1-3,6-7,10H2,(H,22,23)/b21-19+
InChIKeyQYFFZHZSNOXSQJ-XUTLUUPISA-N
XLogP4.14
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-(phthalazin-1-yldiazenyl)hexanoic acid
CID 90989808
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CID 90872512
3-cyclopentyl-2-(1-oxophthalazin-2-yl)propanoic acid
CID 66891968
2-cycloheptyl-1-isoquinolin-4-ylethanol
CID 115798049
2-phenylprop-1-enyl(phthalazin-1-yl)diazene
CID 91190682
3-cyclohexyl-1-(4-phthalazin-1-yloxypiperidin-1-yl)propan-1-one
CID 90560236
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid
CID 63586197
2-cycloheptyl-1-naphthalen-1-ylethanamine
CID 114457695
3-(1-phthalazin-1-ylpiperidin-4-yl)propanoic acid
CID 62216981
N-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide
CID 51142073
N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide
CID 47148421

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(phthalazin-1-yldiazenyl)propanoic acid?
The IUPAC name of 3-cyclohexyl-2-(phthalazin-1-yldiazenyl)propanoic acid (CID 91384360) is 3-cyclohexyl-2-(phthalazin-1-yldiazenyl)propanoic acid.
What is the SMILES notation for 3-cyclohexyl-2-(phthalazin-1-yldiazenyl)propanoic acid?
The canonical SMILES for 3-cyclohexyl-2-(phthalazin-1-yldiazenyl)propanoic acid is O=C(O)C(CC1CCCCC1)/N=N/c1nncc2ccccc12.
What is the InChIKey of 3-cyclohexyl-2-(phthalazin-1-yldiazenyl)propanoic acid?
The InChIKey is QYFFZHZSNOXSQJ-XUTLUUPISA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(23)15(10-12-6-2-1-3-7-12)19-21-16-14-9-5-4-8-13(14)11-18-20-16/h4-5,8-9,11-12,15H,1-3,6-7,10H2,(H,22,23)/b21-19+.
What are the key properties of 3-cyclohexyl-2-(phthalazin-1-yldiazenyl)propanoic acid?
3-cyclohexyl-2-(phthalazin-1-yldiazenyl)propanoic acid has a molecular weight of 312.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(phthalazin-1-yldiazenyl)propanoic acid is sourced from PubChem (CID 91384360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).