N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine

C13H17N3S — CID 63966800

IUPACN-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine
SMILESCSCC(C)CNc1nncc2ccccc12
InChIInChI=1S/C13H17N3S/c1-10(9-17-2)7-14-13-12-6-4-3-5-11(12)8-15-16-13/h3-6,8,10H,7,9H2,1-2H3,(H,14,16)
InChIKeyMVQDATRHQIFSDP-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.04
Rot. Bonds5

About N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine

N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine (PubChem CID 63966800) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine
PubChem CID63966800
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine
SMILESCSCC(C)CNc1nncc2ccccc12
InChIInChI=1S/C13H17N3S/c1-10(9-17-2)7-14-13-12-6-4-3-5-11(12)8-15-16-13/h3-6,8,10H,7,9H2,1-2H3,(H,14,16)
InChIKeyMVQDATRHQIFSDP-UHFFFAOYSA-N
XLogP3.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
CID 60966697
N-(2,2-difluoroethyl)phthalazin-1-amine
CID 115407622
2-methyl-1-methylsulfanyl-3-(phthalazin-1-ylamino)propan-2-ol
CID 106246184
1-[(2-methyl-3-methylsulfanylpropyl)amino]isoquinoline-3-carboxylic acid
CID 63960263
N-(3-phenylbutyl)phthalazin-1-amine
CID 62986988
4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine
CID 107159159
N-(7-methyloctyl)phthalazin-1-amine
CID 107816205
2-(phthalazin-1-ylamino)ethanol
CID 2065587
2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine
CID 80839910
N-(cyclopropylmethyl)phthalazin-1-amine
CID 43419855
2-(phthalazin-1-ylamino)acetamide
CID 43395562
1-(4-aminophenyl)-2-(phthalazin-1-ylamino)ethanol
CID 60876634

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine (CID 63966800) is N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine is CSCC(C)CNc1nncc2ccccc12.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine?
The InChIKey is MVQDATRHQIFSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10(9-17-2)7-14-13-12-6-4-3-5-11(12)8-15-16-13/h3-6,8,10H,7,9H2,1-2H3,(H,14,16).
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine?
N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine has a molecular weight of 247.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine is sourced from PubChem (CID 63966800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).