N-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine

C16H21N3S — CID 103704778

IUPACN-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine
SMILESCCSC1CCC(Nc2nnc(C)c3ccccc23)C1
InChIInChI=1S/C16H21N3S/c1-3-20-13-9-8-12(10-13)17-16-15-7-5-4-6-14(15)11(2)18-19-16/h4-7,12-13H,3,8-10H2,1-2H3,(H,17,19)
InChIKeyPTQPGHKHRYSHGD-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.02
Rot. Bonds4

About N-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine

N-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine (PubChem CID 103704778) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine
PubChem CID103704778
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine
SMILESCCSC1CCC(Nc2nnc(C)c3ccccc23)C1
InChIInChI=1S/C16H21N3S/c1-3-20-13-9-8-12(10-13)17-16-15-7-5-4-6-14(15)11(2)18-19-16/h4-7,12-13H,3,8-10H2,1-2H3,(H,17,19)
InChIKeyPTQPGHKHRYSHGD-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine
CID 103704104
N-(4-ethylcyclohexyl)-4-methylphthalazin-1-amine
CID 63540102
4-methyl-N-(2-methylpiperidin-4-yl)phthalazin-1-amine
CID 106996102
N-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine
CID 103704813
N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine
CID 113244238
2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934424
N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103704805
N-(3-ethylsulfanylcyclopentyl)-2-methylpyrimidin-4-amine
CID 103704839
N-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine
CID 61222397
N-ethyl-4-methylphthalazin-1-amine
CID 43395120
N-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113245596
5-bromo-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103704815

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine (CID 103704778) is N-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine is CCSC1CCC(Nc2nnc(C)c3ccccc23)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine?
The InChIKey is PTQPGHKHRYSHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-3-20-13-9-8-12(10-13)17-16-15-7-5-4-6-14(15)11(2)18-19-16/h4-7,12-13H,3,8-10H2,1-2H3,(H,17,19).
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine?
N-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine has a molecular weight of 287.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine is sourced from PubChem (CID 103704778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).