2-[(4-methylphthalazin-1-yl)amino]hexanoic acid

C15H19N3O2 — CID 43517093

IUPAC2-[(4-methylphthalazin-1-yl)amino]hexanoic acid
SMILESCCCCC(Nc1nnc(C)c2ccccc12)C(=O)O
InChIInChI=1S/C15H19N3O2/c1-3-4-9-13(15(19)20)16-14-12-8-6-5-7-11(12)10(2)17-18-14/h5-8,13H,3-4,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyNSQZEOGCHATNTA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.99
Rot. Bonds6

About 2-[(4-methylphthalazin-1-yl)amino]hexanoic acid

2-[(4-methylphthalazin-1-yl)amino]hexanoic acid (PubChem CID 43517093) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(4-methylphthalazin-1-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(4-methylphthalazin-1-yl)amino]hexanoic acid
PubChem CID43517093
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[(4-methylphthalazin-1-yl)amino]hexanoic acid
SMILESCCCCC(Nc1nnc(C)c2ccccc12)C(=O)O
InChIInChI=1S/C15H19N3O2/c1-3-4-9-13(15(19)20)16-14-12-8-6-5-7-11(12)10(2)17-18-14/h5-8,13H,3-4,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyNSQZEOGCHATNTA-UHFFFAOYSA-N
XLogP2.99
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphthalazin-1-yl)amino]hexanoic acid?
The IUPAC name of 2-[(4-methylphthalazin-1-yl)amino]hexanoic acid (CID 43517093) is 2-[(4-methylphthalazin-1-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(4-methylphthalazin-1-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(4-methylphthalazin-1-yl)amino]hexanoic acid is CCCCC(Nc1nnc(C)c2ccccc12)C(=O)O.
What is the InChIKey of 2-[(4-methylphthalazin-1-yl)amino]hexanoic acid?
The InChIKey is NSQZEOGCHATNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-4-9-13(15(19)20)16-14-12-8-6-5-7-11(12)10(2)17-18-14/h5-8,13H,3-4,9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(4-methylphthalazin-1-yl)amino]hexanoic acid?
2-[(4-methylphthalazin-1-yl)amino]hexanoic acid has a molecular weight of 273.34 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphthalazin-1-yl)amino]hexanoic acid is sourced from PubChem (CID 43517093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).