N-[2-(6-chloropyridazin-3-yl)sulfanylethyl]-N-propan-2-ylpropan-2-amine

C12H20ClN3S — CID 22767791

IUPACN-[2-(6-chloropyridazin-3-yl)sulfanylethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCSc1ccc(Cl)nn1)C(C)C
InChIInChI=1S/C12H20ClN3S/c1-9(2)16(10(3)4)7-8-17-12-6-5-11(13)14-15-12/h5-6,9-10H,7-8H2,1-4H3
InChIKeyGBYWQHXHOUKVDQ-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.34
Rot. Bonds6

About N-[2-(6-chloropyridazin-3-yl)sulfanylethyl]-N-propan-2-ylpropan-2-amine

N-[2-(6-chloropyridazin-3-yl)sulfanylethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 22767791) has the molecular formula C12H20ClN3S and a molecular weight of 273.83 g/mol. Its IUPAC name is N-[2-(6-chloropyridazin-3-yl)sulfanylethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(6-chloropyridazin-3-yl)sulfanylethyl]-N-propan-2-ylpropan-2-amine
PubChem CID22767791
Molecular FormulaC12H20ClN3S
Molecular Weight273.83 g/mol
Exact Mass273.11
IUPAC NameN-[2-(6-chloropyridazin-3-yl)sulfanylethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCSc1ccc(Cl)nn1)C(C)C
InChIInChI=1S/C12H20ClN3S/c1-9(2)16(10(3)4)7-8-17-12-6-5-11(13)14-15-12/h5-6,9-10H,7-8H2,1-4H3
InChIKeyGBYWQHXHOUKVDQ-UHFFFAOYSA-N
XLogP3.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloropyridazin-3-yl)sulfanylethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-(6-chloropyridazin-3-yl)sulfanylethyl]-N-propan-2-ylpropan-2-amine (CID 22767791) is N-[2-(6-chloropyridazin-3-yl)sulfanylethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(6-chloropyridazin-3-yl)sulfanylethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(6-chloropyridazin-3-yl)sulfanylethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCSc1ccc(Cl)nn1)C(C)C.
What is the InChIKey of N-[2-(6-chloropyridazin-3-yl)sulfanylethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is GBYWQHXHOUKVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3S/c1-9(2)16(10(3)4)7-8-17-12-6-5-11(13)14-15-12/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of N-[2-(6-chloropyridazin-3-yl)sulfanylethyl]-N-propan-2-ylpropan-2-amine?
N-[2-(6-chloropyridazin-3-yl)sulfanylethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 273.83 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloropyridazin-3-yl)sulfanylethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 22767791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).