2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one

C16H16N4O — CID 62465252

IUPAC2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one
SMILESCCNc1cc(Cn2ncc3ccccc3c2=O)ccn1
InChIInChI=1S/C16H16N4O/c1-2-17-15-9-12(7-8-18-15)11-20-16(21)14-6-4-3-5-13(14)10-19-20/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyXYIBOUMJBBTWKJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.27
Rot. Bonds4

About 2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one

2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one (PubChem CID 62465252) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one
PubChem CID62465252
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one
SMILESCCNc1cc(Cn2ncc3ccccc3c2=O)ccn1
InChIInChI=1S/C16H16N4O/c1-2-17-15-9-12(7-8-18-15)11-20-16(21)14-6-4-3-5-13(14)10-19-20/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyXYIBOUMJBBTWKJ-UHFFFAOYSA-N
XLogP2.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one?
The IUPAC name of 2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one (CID 62465252) is 2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one.
What is the SMILES notation for 2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one?
The canonical SMILES for 2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one is CCNc1cc(Cn2ncc3ccccc3c2=O)ccn1.
What is the InChIKey of 2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one?
The InChIKey is XYIBOUMJBBTWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-17-15-9-12(7-8-18-15)11-20-16(21)14-6-4-3-5-13(14)10-19-20/h3-10H,2,11H2,1H3,(H,17,18).
What are the key properties of 2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one?
2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one has a molecular weight of 280.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one is sourced from PubChem (CID 62465252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).