4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane

C13H20N4O — CID 142215324

IUPAC4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane
SMILESCC.NCCCNc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C11H14N4O.C2H6/c12-6-3-7-13-10-8-4-1-2-5-9(8)11(16)15-14-10;1-2/h1-2,4-5H,3,6-7,12H2,(H,13,14)(H,15,16);1-2H3
InChIKeyZRILMJHGWQUJJQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.71
Rot. Bonds4

About 4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane

4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane (PubChem CID 142215324) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane.

Molecular Properties

Compound Name4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane
PubChem CID142215324
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane
SMILESCC.NCCCNc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C11H14N4O.C2H6/c12-6-3-7-13-10-8-4-1-2-5-9(8)11(16)15-14-10;1-2/h1-2,4-5H,3,6-7,12H2,(H,13,14)(H,15,16);1-2H3
InChIKeyZRILMJHGWQUJJQ-UHFFFAOYSA-N
XLogP1.71
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(benzylamino)propylamino]-2H-phthalazin-1-one
CID 22343074
phenyl N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]carbamate
CID 20819597
2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid
CID 119085133
2,2-dichloro-1-methyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]cyclopropane-1-carboxamide
CID 20818805
1-diethoxyphosphoryl-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea
CID 20818795
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide
CID 20819446
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiophene-2-carboxamide
CID 20819526
4-[3-(4-phenylphenyl)butylamino]-2H-phthalazin-1-one
CID 57187982
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-4-phenylbut-3-enamide
CID 91248532
1-[4-(dimethylamino)phenyl]-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea
CID 20818782
N'-methyl-N'-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-N-phenylpentanediamide
CID 20819596
ethyl 4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]piperidine-1-carboxylate
CID 59468083

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane?
The IUPAC name of 4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane (CID 142215324) is 4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane.
What is the SMILES notation for 4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane?
The canonical SMILES for 4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane is CC.NCCCNc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane?
The InChIKey is ZRILMJHGWQUJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O.C2H6/c12-6-3-7-13-10-8-4-1-2-5-9(8)11(16)15-14-10;1-2/h1-2,4-5H,3,6-7,12H2,(H,13,14)(H,15,16);1-2H3.
What are the key properties of 4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane?
4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane has a molecular weight of 248.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane is sourced from PubChem (CID 142215324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).