4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one

C10H15N3O — CID 66965390

IUPAC4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESNCCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C10H15N3O/c11-6-5-9-7-3-1-2-4-8(7)10(14)13-12-9/h1-6,11H2,(H,13,14)
InChIKeyHVGQYSXAQKCYIJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.15
Rot. Bonds2

About 4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one

4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one (PubChem CID 66965390) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
PubChem CID66965390
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESNCCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C10H15N3O/c11-6-5-9-7-3-1-2-4-8(7)10(14)13-12-9/h1-6,11H2,(H,13,14)
InChIKeyHVGQYSXAQKCYIJ-UHFFFAOYSA-N
XLogP0.15
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The IUPAC name of 4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one (CID 66965390) is 4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one.
What is the SMILES notation for 4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The canonical SMILES for 4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one is NCCc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of 4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The InChIKey is HVGQYSXAQKCYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-6-5-9-7-3-1-2-4-8(7)10(14)13-12-9/h1-6,11H2,(H,13,14).
What are the key properties of 4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one has a molecular weight of 193.25 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one is sourced from PubChem (CID 66965390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).