N-benzyl-4-thiophen-2-ylphthalazin-1-amine

C19H15N3S — CID 6401108

IUPACN-benzyl-4-thiophen-2-ylphthalazin-1-amine
SMILESc1ccc(CNc2nnc(-c3cccs3)c3ccccc23)cc1
InChIInChI=1S/C19H15N3S/c1-2-7-14(8-3-1)13-20-19-16-10-5-4-9-15(16)18(21-22-19)17-11-6-12-23-17/h1-12H,13H2,(H,20,22)
InChIKeyQDQYNEFGAJJORC-UHFFFAOYSA-N
MW317.42 g/mol
LogP4.97
Rot. Bonds4

About N-benzyl-4-thiophen-2-ylphthalazin-1-amine

N-benzyl-4-thiophen-2-ylphthalazin-1-amine (PubChem CID 6401108) has the molecular formula C19H15N3S and a molecular weight of 317.42 g/mol. Its IUPAC name is N-benzyl-4-thiophen-2-ylphthalazin-1-amine.

Molecular Properties

Compound NameN-benzyl-4-thiophen-2-ylphthalazin-1-amine
PubChem CID6401108
Molecular FormulaC19H15N3S
Molecular Weight317.42 g/mol
Exact Mass317.10
IUPAC NameN-benzyl-4-thiophen-2-ylphthalazin-1-amine
SMILESc1ccc(CNc2nnc(-c3cccs3)c3ccccc23)cc1
InChIInChI=1S/C19H15N3S/c1-2-7-14(8-3-1)13-20-19-16-10-5-4-9-15(16)18(21-22-19)17-11-6-12-23-17/h1-12H,13H2,(H,20,22)
InChIKeyQDQYNEFGAJJORC-UHFFFAOYSA-N
XLogP4.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-thiophen-2-ylphthalazin-1-amine?
The IUPAC name of N-benzyl-4-thiophen-2-ylphthalazin-1-amine (CID 6401108) is N-benzyl-4-thiophen-2-ylphthalazin-1-amine.
What is the SMILES notation for N-benzyl-4-thiophen-2-ylphthalazin-1-amine?
The canonical SMILES for N-benzyl-4-thiophen-2-ylphthalazin-1-amine is c1ccc(CNc2nnc(-c3cccs3)c3ccccc23)cc1.
What is the InChIKey of N-benzyl-4-thiophen-2-ylphthalazin-1-amine?
The InChIKey is QDQYNEFGAJJORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S/c1-2-7-14(8-3-1)13-20-19-16-10-5-4-9-15(16)18(21-22-19)17-11-6-12-23-17/h1-12H,13H2,(H,20,22).
What are the key properties of N-benzyl-4-thiophen-2-ylphthalazin-1-amine?
N-benzyl-4-thiophen-2-ylphthalazin-1-amine has a molecular weight of 317.42 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-thiophen-2-ylphthalazin-1-amine is sourced from PubChem (CID 6401108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).