N-methyl-6-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-amine

C14H24N4S — CID 133334272

IUPACN-methyl-6-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-amine
SMILESCSc1ccc(N(C)C2CCN(C(C)C)CC2)nn1
InChIInChI=1S/C14H24N4S/c1-11(2)18-9-7-12(8-10-18)17(3)13-5-6-14(19-4)16-15-13/h5-6,11-12H,7-10H2,1-4H3
InChIKeyZIGHDDSXNOTVGJ-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.51
Rot. Bonds4

About N-methyl-6-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-amine

N-methyl-6-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 133334272) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N-methyl-6-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-amine
PubChem CID133334272
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN-methyl-6-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-amine
SMILESCSc1ccc(N(C)C2CCN(C(C)C)CC2)nn1
InChIInChI=1S/C14H24N4S/c1-11(2)18-9-7-12(8-10-18)17(3)13-5-6-14(19-4)16-15-13/h5-6,11-12H,7-10H2,1-4H3
InChIKeyZIGHDDSXNOTVGJ-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of N-methyl-6-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-amine (CID 133334272) is N-methyl-6-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for N-methyl-6-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-amine is CSc1ccc(N(C)C2CCN(C(C)C)CC2)nn1.
What is the InChIKey of N-methyl-6-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is ZIGHDDSXNOTVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-11(2)18-9-7-12(8-10-18)17(3)13-5-6-14(19-4)16-15-13/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of N-methyl-6-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-amine?
N-methyl-6-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 280.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 133334272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).