2-(2-aminoethyl)-4-chlorophthalazin-1-one

C10H10ClN3O — CID 82391903

IUPAC2-(2-aminoethyl)-4-chlorophthalazin-1-one
SMILESNCCn1nc(Cl)c2ccccc2c1=O
InChIInChI=1S/C10H10ClN3O/c11-9-7-3-1-2-4-8(7)10(15)14(13-9)6-5-12/h1-4H,5-6,12H2
InChIKeySVQJQHGOXVMVHY-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.01
Rot. Bonds2

About 2-(2-aminoethyl)-4-chlorophthalazin-1-one

2-(2-aminoethyl)-4-chlorophthalazin-1-one (PubChem CID 82391903) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-chlorophthalazin-1-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-chlorophthalazin-1-one
PubChem CID82391903
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-(2-aminoethyl)-4-chlorophthalazin-1-one
SMILESNCCn1nc(Cl)c2ccccc2c1=O
InChIInChI=1S/C10H10ClN3O/c11-9-7-3-1-2-4-8(7)10(15)14(13-9)6-5-12/h1-4H,5-6,12H2
InChIKeySVQJQHGOXVMVHY-UHFFFAOYSA-N
XLogP1.01
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-4-methylphthalazin-1-one
CID 121199498
2-(4-chloro-1-oxophthalazin-2-yl)acetamide
CID 82388890
2-(4-chlorobutyl)-4-(4-chlorophenyl)phthalazin-1-one
CID 142711589
4-(aminomethyl)-2-ethylphthalazin-1-one
CID 819195
4-(aminomethyl)-2-methylphthalazin-1-one
CID 589800
1-benzyl-3-chloropyrazolo[5,4-b]pyridine
CID 12597363
4-chloro-2-ethylpyrido[3,4-d]pyridazin-1-one
CID 171631017
4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one
CID 19898934
N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 119404869
2-(3-chloroindazol-1-yl)acetaldehyde
CID 89325670
4-amino-2-benzyl-7-chlorophthalazin-1-one
CID 71763827
2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one
CID 142713782

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-chlorophthalazin-1-one?
The IUPAC name of 2-(2-aminoethyl)-4-chlorophthalazin-1-one (CID 82391903) is 2-(2-aminoethyl)-4-chlorophthalazin-1-one.
What is the SMILES notation for 2-(2-aminoethyl)-4-chlorophthalazin-1-one?
The canonical SMILES for 2-(2-aminoethyl)-4-chlorophthalazin-1-one is NCCn1nc(Cl)c2ccccc2c1=O.
What is the InChIKey of 2-(2-aminoethyl)-4-chlorophthalazin-1-one?
The InChIKey is SVQJQHGOXVMVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-9-7-3-1-2-4-8(7)10(15)14(13-9)6-5-12/h1-4H,5-6,12H2.
What are the key properties of 2-(2-aminoethyl)-4-chlorophthalazin-1-one?
2-(2-aminoethyl)-4-chlorophthalazin-1-one has a molecular weight of 223.66 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-chlorophthalazin-1-one is sourced from PubChem (CID 82391903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).