N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine

C15H15N3S — CID 79991770

IUPACN-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine
SMILESCCNc1nnc(-c2sccc2C)c2ccccc12
InChIInChI=1S/C15H15N3S/c1-3-16-15-12-7-5-4-6-11(12)13(17-18-15)14-10(2)8-9-19-14/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyXEQJPLCKEJCIOW-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.10
Rot. Bonds3

About N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine

N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine (PubChem CID 79991770) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine
PubChem CID79991770
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine
SMILESCCNc1nnc(-c2sccc2C)c2ccccc12
InChIInChI=1S/C15H15N3S/c1-3-16-15-12-7-5-4-6-11(12)13(17-18-15)14-10(2)8-9-19-14/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyXEQJPLCKEJCIOW-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine?
The IUPAC name of N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine (CID 79991770) is N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine.
What is the SMILES notation for N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine?
The canonical SMILES for N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine is CCNc1nnc(-c2sccc2C)c2ccccc12.
What is the InChIKey of N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine?
The InChIKey is XEQJPLCKEJCIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-3-16-15-12-7-5-4-6-11(12)13(17-18-15)14-10(2)8-9-19-14/h4-9H,3H2,1-2H3,(H,16,18).
What are the key properties of N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine?
N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine has a molecular weight of 269.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine is sourced from PubChem (CID 79991770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).