N,N-diethyl-4-thiophen-2-ylphthalazin-1-amine

C16H17N3S — CID 23876810

IUPACN,N-diethyl-4-thiophen-2-ylphthalazin-1-amine
SMILESCCN(CC)c1nnc(-c2cccs2)c2ccccc12
InChIInChI=1S/C16H17N3S/c1-3-19(4-2)16-13-9-6-5-8-12(13)15(17-18-16)14-10-7-11-20-14/h5-11H,3-4H2,1-2H3
InChIKeyCBEXWDTXHYTDOI-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.20
Rot. Bonds4

About N,N-diethyl-4-thiophen-2-ylphthalazin-1-amine

N,N-diethyl-4-thiophen-2-ylphthalazin-1-amine (PubChem CID 23876810) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N,N-diethyl-4-thiophen-2-ylphthalazin-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-thiophen-2-ylphthalazin-1-amine
PubChem CID23876810
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN,N-diethyl-4-thiophen-2-ylphthalazin-1-amine
SMILESCCN(CC)c1nnc(-c2cccs2)c2ccccc12
InChIInChI=1S/C16H17N3S/c1-3-19(4-2)16-13-9-6-5-8-12(13)15(17-18-16)14-10-7-11-20-14/h5-11H,3-4H2,1-2H3
InChIKeyCBEXWDTXHYTDOI-UHFFFAOYSA-N
XLogP4.20
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4-thiophen-2-ylphthalazin-1-yl)ethane-1,2-diamine
CID 82191464
N-benzyl-4-thiophen-2-ylphthalazin-1-amine
CID 6401108
N'-(4-thiophen-2-ylphthalazin-1-yl)propane-1,3-diamine
CID 82191605
2-methyl-4-thiophen-2-ylphthalazin-1-one
CID 17487388
1-methyl-3-thiophen-2-ylindazole
CID 57338749
1-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-2-methylpropan-2-ol
CID 133313174
N-cyclohexyl-4-thiophen-2-ylphthalazin-1-amine
CID 704890
N'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine
CID 63765499
4-[(4-thiophen-2-ylphthalazin-1-yl)amino]benzonitrile
CID 11493617
1-(1,3-benzodioxol-5-yloxy)-4-thiophen-2-ylphthalazine
CID 705874
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
2-phenyl-4-thiophen-2-ylphthalazin-1-one
CID 4053882

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-thiophen-2-ylphthalazin-1-amine?
The IUPAC name of N,N-diethyl-4-thiophen-2-ylphthalazin-1-amine (CID 23876810) is N,N-diethyl-4-thiophen-2-ylphthalazin-1-amine.
What is the SMILES notation for N,N-diethyl-4-thiophen-2-ylphthalazin-1-amine?
The canonical SMILES for N,N-diethyl-4-thiophen-2-ylphthalazin-1-amine is CCN(CC)c1nnc(-c2cccs2)c2ccccc12.
What is the InChIKey of N,N-diethyl-4-thiophen-2-ylphthalazin-1-amine?
The InChIKey is CBEXWDTXHYTDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-3-19(4-2)16-13-9-6-5-8-12(13)15(17-18-16)14-10-7-11-20-14/h5-11H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-thiophen-2-ylphthalazin-1-amine?
N,N-diethyl-4-thiophen-2-ylphthalazin-1-amine has a molecular weight of 283.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-thiophen-2-ylphthalazin-1-amine is sourced from PubChem (CID 23876810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).