4-chloro-N-(3-methylsulfanylbutyl)phthalazin-1-amine

C13H16ClN3S — CID 113494204

IUPAC4-chloro-N-(3-methylsulfanylbutyl)phthalazin-1-amine
SMILESCSC(C)CCNc1nnc(Cl)c2ccccc12
InChIInChI=1S/C13H16ClN3S/c1-9(18-2)7-8-15-13-11-6-4-3-5-10(11)12(14)16-17-13/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyKQAFZTQJXXYIPQ-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.84
Rot. Bonds5

About 4-chloro-N-(3-methylsulfanylbutyl)phthalazin-1-amine

4-chloro-N-(3-methylsulfanylbutyl)phthalazin-1-amine (PubChem CID 113494204) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 4-chloro-N-(3-methylsulfanylbutyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-(3-methylsulfanylbutyl)phthalazin-1-amine
PubChem CID113494204
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name4-chloro-N-(3-methylsulfanylbutyl)phthalazin-1-amine
SMILESCSC(C)CCNc1nnc(Cl)c2ccccc12
InChIInChI=1S/C13H16ClN3S/c1-9(18-2)7-8-15-13-11-6-4-3-5-10(11)12(14)16-17-13/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyKQAFZTQJXXYIPQ-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-ethylphthalazin-1-amine
CID 62140798
4-[(4-chlorophthalazin-1-yl)amino]-3-methylbutan-1-ol
CID 66108447
4-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]phthalazin-1-amine
CID 114188163
3,5,6-trichloro-N-(3-methylsulfanylbutyl)pyridin-2-amine
CID 102751944
4-chloro-N-(3-methylsulfonylpropyl)phthalazin-1-amine
CID 62142339
N-but-2-ynyl-4-chlorophthalazin-1-amine
CID 106195800
4-[(4-chlorophthalazin-1-yl)amino]butanamide
CID 62141912
N-(3-chlorobutyl)-4-methylphthalazin-1-amine
CID 65028371
4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine
CID 62142134
4-chloro-N-(2-prop-2-enoxyethyl)phthalazin-1-amine
CID 114265063
4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
CID 62994226
4-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]phthalazin-1-amine
CID 63824711

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylsulfanylbutyl)phthalazin-1-amine?
The IUPAC name of 4-chloro-N-(3-methylsulfanylbutyl)phthalazin-1-amine (CID 113494204) is 4-chloro-N-(3-methylsulfanylbutyl)phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-(3-methylsulfanylbutyl)phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-(3-methylsulfanylbutyl)phthalazin-1-amine is CSC(C)CCNc1nnc(Cl)c2ccccc12.
What is the InChIKey of 4-chloro-N-(3-methylsulfanylbutyl)phthalazin-1-amine?
The InChIKey is KQAFZTQJXXYIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-9(18-2)7-8-15-13-11-6-4-3-5-10(11)12(14)16-17-13/h3-6,9H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 4-chloro-N-(3-methylsulfanylbutyl)phthalazin-1-amine?
4-chloro-N-(3-methylsulfanylbutyl)phthalazin-1-amine has a molecular weight of 281.81 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylsulfanylbutyl)phthalazin-1-amine is sourced from PubChem (CID 113494204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).