1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine

C16H18N4 — CID 19699654

IUPAC1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine
SMILESCCNc1nnc(NCC)c2cc3ccccc3cc12
InChIInChI=1S/C16H18N4/c1-3-17-15-13-9-11-7-5-6-8-12(11)10-14(13)16(18-4-2)20-19-15/h5-10H,3-4H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyFLWSOCFFSYVGAE-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.65
Rot. Bonds4

About 1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine

1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine (PubChem CID 19699654) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine
PubChem CID19699654
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine
SMILESCCNc1nnc(NCC)c2cc3ccccc3cc12
InChIInChI=1S/C16H18N4/c1-3-17-15-13-9-11-7-5-6-8-12(11)10-14(13)16(18-4-2)20-19-15/h5-10H,3-4H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyFLWSOCFFSYVGAE-UHFFFAOYSA-N
XLogP3.65
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-methylphthalazin-1-amine
CID 43395120
4-chloro-N-ethylphthalazin-1-amine
CID 62140798
2-[2-[[4-[2-(2-hydroxyethylamino)ethylamino]benzo[g]phthalazin-1-yl]amino]ethylamino]ethanol
CID 10385348
1-N,4-N-bis[2-(aziridin-1-yl)ethyl]benzo[g]phthalazine-1,4-diamine
CID 19811426
1-N,4-N-bis[1-(dimethylamino)propyl]benzo[g]phthalazine-1,4-diamine
CID 67580499
N'-(4-chlorobenzo[g]phthalazin-1-yl)-N-[3-[(4-chlorobenzo[g]phthalazin-1-yl)amino]propyl]propane-1,3-diamine
CID 10053429
N-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine
CID 113378121
N-ethyl-3-propylquinolin-2-amine
CID 63232591
1,2,3,4-tetrapropylanthracene
CID 15504630
1-N-ethyl-3-methylisoquinoline-1,5-diamine
CID 82570736
N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine
CID 79991770
N-ethyl-2-(2-phenylethenyl)quinazolin-4-amine
CID 58017075

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine?
The IUPAC name of 1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine (CID 19699654) is 1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine.
What is the SMILES notation for 1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine?
The canonical SMILES for 1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine is CCNc1nnc(NCC)c2cc3ccccc3cc12.
What is the InChIKey of 1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine?
The InChIKey is FLWSOCFFSYVGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-3-17-15-13-9-11-7-5-6-8-12(11)10-14(13)16(18-4-2)20-19-15/h5-10H,3-4H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine?
1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine has a molecular weight of 266.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-diethylbenzo[g]phthalazine-1,4-diamine is sourced from PubChem (CID 19699654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).