2-[[2-(methylamino)-3-pyridinyl]methyl]phthalazin-1-one

C15H14N4O — CID 62465075

IUPAC2-[[2-(methylamino)-3-pyridinyl]methyl]phthalazin-1-one
SMILESCNc1ncccc1Cn1ncc2ccccc2c1=O
InChIInChI=1S/C15H14N4O/c1-16-14-12(6-4-8-17-14)10-19-15(20)13-7-3-2-5-11(13)9-18-19/h2-9H,10H2,1H3,(H,16,17)
InChIKeyVGXKHSQNCZFKFS-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.88
Rot. Bonds3

About 2-[[2-(methylamino)-3-pyridinyl]methyl]phthalazin-1-one

2-[[2-(methylamino)-3-pyridinyl]methyl]phthalazin-1-one (PubChem CID 62465075) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[[2-(methylamino)-3-pyridinyl]methyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[[2-(methylamino)-3-pyridinyl]methyl]phthalazin-1-one
PubChem CID62465075
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-[[2-(methylamino)-3-pyridinyl]methyl]phthalazin-1-one
SMILESCNc1ncccc1Cn1ncc2ccccc2c1=O
InChIInChI=1S/C15H14N4O/c1-16-14-12(6-4-8-17-14)10-19-15(20)13-7-3-2-5-11(13)9-18-19/h2-9H,10H2,1H3,(H,16,17)
InChIKeyVGXKHSQNCZFKFS-UHFFFAOYSA-N
XLogP1.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylamino)-3-pyridinyl]methyl]phthalazin-1-one?
The IUPAC name of 2-[[2-(methylamino)-3-pyridinyl]methyl]phthalazin-1-one (CID 62465075) is 2-[[2-(methylamino)-3-pyridinyl]methyl]phthalazin-1-one.
What is the SMILES notation for 2-[[2-(methylamino)-3-pyridinyl]methyl]phthalazin-1-one?
The canonical SMILES for 2-[[2-(methylamino)-3-pyridinyl]methyl]phthalazin-1-one is CNc1ncccc1Cn1ncc2ccccc2c1=O.
What is the InChIKey of 2-[[2-(methylamino)-3-pyridinyl]methyl]phthalazin-1-one?
The InChIKey is VGXKHSQNCZFKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-16-14-12(6-4-8-17-14)10-19-15(20)13-7-3-2-5-11(13)9-18-19/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-[[2-(methylamino)-3-pyridinyl]methyl]phthalazin-1-one?
2-[[2-(methylamino)-3-pyridinyl]methyl]phthalazin-1-one has a molecular weight of 266.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)-3-pyridinyl]methyl]phthalazin-1-one is sourced from PubChem (CID 62465075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).