N-(2-methylsulfinylpropyl)pyridazin-3-amine

C8H13N3OS — CID 115764208

IUPACN-(2-methylsulfinylpropyl)pyridazin-3-amine
SMILESCC(CNc1cccnn1)S(C)=O
InChIInChI=1S/C8H13N3OS/c1-7(13(2)12)6-9-8-4-3-5-10-11-8/h3-5,7H,6H2,1-2H3,(H,9,11)
InChIKeyLQALBUAWCFTBIG-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.66
Rot. Bonds4

About N-(2-methylsulfinylpropyl)pyridazin-3-amine

N-(2-methylsulfinylpropyl)pyridazin-3-amine (PubChem CID 115764208) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-(2-methylsulfinylpropyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-methylsulfinylpropyl)pyridazin-3-amine
PubChem CID115764208
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-(2-methylsulfinylpropyl)pyridazin-3-amine
SMILESCC(CNc1cccnn1)S(C)=O
InChIInChI=1S/C8H13N3OS/c1-7(13(2)12)6-9-8-4-3-5-10-11-8/h3-5,7H,6H2,1-2H3,(H,9,11)
InChIKeyLQALBUAWCFTBIG-UHFFFAOYSA-N
XLogP0.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfinylpropyl)pyrimidin-2-amine
CID 115764312
1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol
CID 103702578
2-hydroxy-3-(pyridazin-3-ylamino)propanamide
CID 106170861
3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol
CID 176652809
N-(2-chloro-2-cyclopropylethyl)pyridazin-3-amine
CID 65033709
N-(7-methyloctyl)pyridazin-3-amine
CID 107816275
1-cyclopropyl-N'-pyridazin-3-ylethane-1,2-diamine
CID 63759108
N-(2,2-dimethylbutyl)pyridazin-3-amine
CID 103462378
6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine
CID 115764320
3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine
CID 115764306
N-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine
CID 79561473
N,N-dimethyl-2-(pyridazin-3-ylamino)acetamide
CID 62482830

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylpropyl)pyridazin-3-amine?
The IUPAC name of N-(2-methylsulfinylpropyl)pyridazin-3-amine (CID 115764208) is N-(2-methylsulfinylpropyl)pyridazin-3-amine.
What is the SMILES notation for N-(2-methylsulfinylpropyl)pyridazin-3-amine?
The canonical SMILES for N-(2-methylsulfinylpropyl)pyridazin-3-amine is CC(CNc1cccnn1)S(C)=O.
What is the InChIKey of N-(2-methylsulfinylpropyl)pyridazin-3-amine?
The InChIKey is LQALBUAWCFTBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-7(13(2)12)6-9-8-4-3-5-10-11-8/h3-5,7H,6H2,1-2H3,(H,9,11).
What are the key properties of N-(2-methylsulfinylpropyl)pyridazin-3-amine?
N-(2-methylsulfinylpropyl)pyridazin-3-amine has a molecular weight of 199.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylpropyl)pyridazin-3-amine is sourced from PubChem (CID 115764208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).