N,N-dimethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-5,6,7,8-tetrahydrophthalazin-1-amine

C20H22N4S — CID 110170225

IUPACN,N-dimethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-5,6,7,8-tetrahydrophthalazin-1-amine
SMILESCc1ccc(-c2ccc(-c3nnc(N(C)C)c4c3CCCC4)s2)nc1
InChIInChI=1S/C20H22N4S/c1-13-8-9-16(21-12-13)17-10-11-18(25-17)19-14-6-4-5-7-15(14)20(23-22-19)24(2)3/h8-12H,4-7H2,1-3H3
InChIKeyYLXGLNIDHZIFSJ-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.52
Rot. Bonds3

About N,N-dimethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-5,6,7,8-tetrahydrophthalazin-1-amine

N,N-dimethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-5,6,7,8-tetrahydrophthalazin-1-amine (PubChem CID 110170225) has the molecular formula C20H22N4S and a molecular weight of 350.49 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-5,6,7,8-tetrahydrophthalazin-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-5,6,7,8-tetrahydrophthalazin-1-amine
PubChem CID110170225
Molecular FormulaC20H22N4S
Molecular Weight350.49 g/mol
Exact Mass350.16
IUPAC NameN,N-dimethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-5,6,7,8-tetrahydrophthalazin-1-amine
SMILESCc1ccc(-c2ccc(-c3nnc(N(C)C)c4c3CCCC4)s2)nc1
InChIInChI=1S/C20H22N4S/c1-13-8-9-16(21-12-13)17-10-11-18(25-17)19-14-6-4-5-7-15(14)20(23-22-19)24(2)3/h8-12H,4-7H2,1-3H3
InChIKeyYLXGLNIDHZIFSJ-UHFFFAOYSA-N
XLogP4.52
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-5,6,7,8-tetrahydrophthalazin-1-amine?
The IUPAC name of N,N-dimethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-5,6,7,8-tetrahydrophthalazin-1-amine (CID 110170225) is N,N-dimethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-5,6,7,8-tetrahydrophthalazin-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-5,6,7,8-tetrahydrophthalazin-1-amine?
The canonical SMILES for N,N-dimethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-5,6,7,8-tetrahydrophthalazin-1-amine is Cc1ccc(-c2ccc(-c3nnc(N(C)C)c4c3CCCC4)s2)nc1.
What is the InChIKey of N,N-dimethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-5,6,7,8-tetrahydrophthalazin-1-amine?
The InChIKey is YLXGLNIDHZIFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4S/c1-13-8-9-16(21-12-13)17-10-11-18(25-17)19-14-6-4-5-7-15(14)20(23-22-19)24(2)3/h8-12H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-5,6,7,8-tetrahydrophthalazin-1-amine?
N,N-dimethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-5,6,7,8-tetrahydrophthalazin-1-amine has a molecular weight of 350.49 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-5,6,7,8-tetrahydrophthalazin-1-amine is sourced from PubChem (CID 110170225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).