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

C10H16ClN3O — CID 66965389

IUPAC4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one;hydrochloride
SMILESCl.NCCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C10H15N3O.ClH/c11-6-5-9-7-3-1-2-4-8(7)10(14)13-12-9;/h1-6,11H2,(H,13,14);1H
InChIKeyBSGTUPVNHKKHMZ-UHFFFAOYSA-N
MW229.71 g/mol
LogP0.57
Rot. Bonds2

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

4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one;hydrochloride (PubChem CID 66965389) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one;hydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one;hydrochloride
PubChem CID66965389
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one;hydrochloride
SMILESCl.NCCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C10H15N3O.ClH/c11-6-5-9-7-3-1-2-4-8(7)10(14)13-12-9;/h1-6,11H2,(H,13,14);1H
InChIKeyBSGTUPVNHKKHMZ-UHFFFAOYSA-N
XLogP0.57
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 50.57
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;hydrochloride?
The IUPAC name of 4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one;hydrochloride (CID 66965389) is 4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one;hydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one;hydrochloride?
The canonical SMILES for 4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one;hydrochloride is Cl.NCCc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of 4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one;hydrochloride?
The InChIKey is BSGTUPVNHKKHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.ClH/c11-6-5-9-7-3-1-2-4-8(7)10(14)13-12-9;/h1-6,11H2,(H,13,14);1H.
What are the key properties of 4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one;hydrochloride?
4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 0.57, 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;hydrochloride is sourced from PubChem (CID 66965389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).