N-(2-aminoethyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide

C12H18N4O2 — CID 66966597

IUPACN-(2-aminoethyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESNCCNC(=O)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C12H18N4O2/c13-5-6-14-11(17)7-10-8-3-1-2-4-9(8)12(18)16-15-10/h1-7,13H2,(H,14,17)(H,16,18)
InChIKeyGCCNNBLPYBWZQJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.73
Rot. Bonds4

About N-(2-aminoethyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide

N-(2-aminoethyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (PubChem CID 66966597) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
PubChem CID66966597
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(2-aminoethyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESNCCNC(=O)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C12H18N4O2/c13-5-6-14-11(17)7-10-8-3-1-2-4-9(8)12(18)16-15-10/h1-7,13H2,(H,14,17)(H,16,18)
InChIKeyGCCNNBLPYBWZQJ-UHFFFAOYSA-N
XLogP-0.73
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (CID 66966597) is N-(2-aminoethyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is NCCNC(=O)Cc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of N-(2-aminoethyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The InChIKey is GCCNNBLPYBWZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-5-6-14-11(17)7-10-8-3-1-2-4-9(8)12(18)16-15-10/h1-7,13H2,(H,14,17)(H,16,18).
What are the key properties of N-(2-aminoethyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
N-(2-aminoethyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide has a molecular weight of 250.30 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 66966597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).