4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine

C15H19N3S — CID 103704104

IUPAC4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine
SMILESCSC1CCC(Nc2nnc(C)c3ccccc23)C1
InChIInChI=1S/C15H19N3S/c1-10-13-5-3-4-6-14(13)15(18-17-10)16-11-7-8-12(9-11)19-2/h3-6,11-12H,7-9H2,1-2H3,(H,16,18)
InChIKeyHPTUKNFBAVOYNP-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.63
Rot. Bonds3

About 4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine

4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine (PubChem CID 103704104) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine
PubChem CID103704104
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine
SMILESCSC1CCC(Nc2nnc(C)c3ccccc23)C1
InChIInChI=1S/C15H19N3S/c1-10-13-5-3-4-6-14(13)15(18-17-10)16-11-7-8-12(9-11)19-2/h3-6,11-12H,7-9H2,1-2H3,(H,16,18)
InChIKeyHPTUKNFBAVOYNP-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine
CID 103704778
3-methyl-N-(3-methylsulfanylcyclopentyl)quinoxalin-2-amine
CID 103704143
4-methyl-N-(2-methylpiperidin-4-yl)phthalazin-1-amine
CID 106996102
N-(4-ethylcyclohexyl)-4-methylphthalazin-1-amine
CID 63540102
5,6-dimethyl-3-[(3-methylsulfanylcyclopentyl)amino]pyridazine-4-carbonitrile
CID 113244155
4-[(3-methylsulfanylcyclopentyl)amino]cinnoline-3-carbonitrile
CID 103704215
2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934424
N-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine
CID 61222397
trans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol
CID 167292889
N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
CID 113244147
N-(3-methylsulfanylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 103704155
5-methyl-N-(3-methylsulfanylcyclopentyl)pyridin-2-amine
CID 103704113

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine?
The IUPAC name of 4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine (CID 103704104) is 4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine.
What is the SMILES notation for 4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine?
The canonical SMILES for 4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine is CSC1CCC(Nc2nnc(C)c3ccccc23)C1.
What is the InChIKey of 4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine?
The InChIKey is HPTUKNFBAVOYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10-13-5-3-4-6-14(13)15(18-17-10)16-11-7-8-12(9-11)19-2/h3-6,11-12H,7-9H2,1-2H3,(H,16,18).
What are the key properties of 4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine?
4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine has a molecular weight of 273.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine is sourced from PubChem (CID 103704104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).