4-(1-aminoethyl)-6-ethyl-2H-phthalazin-1-one

C12H15N3O — CID 156650980

IUPAC4-(1-aminoethyl)-6-ethyl-2H-phthalazin-1-one
SMILESCCc1ccc2c(=O)[nH]nc(C(C)N)c2c1
InChIInChI=1S/C12H15N3O/c1-3-8-4-5-9-10(6-8)11(7(2)13)14-15-12(9)16/h4-7H,3,13H2,1-2H3,(H,15,16)
InChIKeyYUGSCIFUQAVRLR-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.51
Rot. Bonds2

About 4-(1-aminoethyl)-6-ethyl-2H-phthalazin-1-one

4-(1-aminoethyl)-6-ethyl-2H-phthalazin-1-one (PubChem CID 156650980) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(1-aminoethyl)-6-ethyl-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(1-aminoethyl)-6-ethyl-2H-phthalazin-1-one
PubChem CID156650980
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(1-aminoethyl)-6-ethyl-2H-phthalazin-1-one
SMILESCCc1ccc2c(=O)[nH]nc(C(C)N)c2c1
InChIInChI=1S/C12H15N3O/c1-3-8-4-5-9-10(6-8)11(7(2)13)14-15-12(9)16/h4-7H,3,13H2,1-2H3,(H,15,16)
InChIKeyYUGSCIFUQAVRLR-UHFFFAOYSA-N
XLogP1.51
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-6-ethyl-2H-phthalazin-1-one?
The IUPAC name of 4-(1-aminoethyl)-6-ethyl-2H-phthalazin-1-one (CID 156650980) is 4-(1-aminoethyl)-6-ethyl-2H-phthalazin-1-one.
What is the SMILES notation for 4-(1-aminoethyl)-6-ethyl-2H-phthalazin-1-one?
The canonical SMILES for 4-(1-aminoethyl)-6-ethyl-2H-phthalazin-1-one is CCc1ccc2c(=O)[nH]nc(C(C)N)c2c1.
What is the InChIKey of 4-(1-aminoethyl)-6-ethyl-2H-phthalazin-1-one?
The InChIKey is YUGSCIFUQAVRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-8-4-5-9-10(6-8)11(7(2)13)14-15-12(9)16/h4-7H,3,13H2,1-2H3,(H,15,16).
What are the key properties of 4-(1-aminoethyl)-6-ethyl-2H-phthalazin-1-one?
4-(1-aminoethyl)-6-ethyl-2H-phthalazin-1-one has a molecular weight of 217.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-6-ethyl-2H-phthalazin-1-one is sourced from PubChem (CID 156650980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).