N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(thiophen-2-ylmethylsulfanyl)pyridazin-3-amine

C15H15N5S2 — CID 10125810

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(thiophen-2-ylmethylsulfanyl)pyridazin-3-amine
SMILESc1csc(CSc2cnnc(Nc3cc(C4CC4)[nH]n3)c2)c1
InChIInChI=1S/C15H15N5S2/c1-2-11(21-5-1)9-22-12-6-14(19-16-8-12)17-15-7-13(18-20-15)10-3-4-10/h1-2,5-8,10H,3-4,9H2,(H2,17,18,19,20)
InChIKeyUXOVXLAJZZDZAW-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.17
Rot. Bonds6

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(thiophen-2-ylmethylsulfanyl)pyridazin-3-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(thiophen-2-ylmethylsulfanyl)pyridazin-3-amine (PubChem CID 10125810) has the molecular formula C15H15N5S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(thiophen-2-ylmethylsulfanyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(thiophen-2-ylmethylsulfanyl)pyridazin-3-amine
PubChem CID10125810
Molecular FormulaC15H15N5S2
Molecular Weight329.45 g/mol
Exact Mass329.08
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(thiophen-2-ylmethylsulfanyl)pyridazin-3-amine
SMILESc1csc(CSc2cnnc(Nc3cc(C4CC4)[nH]n3)c2)c1
InChIInChI=1S/C15H15N5S2/c1-2-11(21-5-1)9-22-12-6-14(19-16-8-12)17-15-7-13(18-20-15)10-3-4-10/h1-2,5-8,10H,3-4,9H2,(H2,17,18,19,20)
InChIKeyUXOVXLAJZZDZAW-UHFFFAOYSA-N
XLogP4.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(thiophen-2-ylmethylsulfanyl)pyridazin-3-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(thiophen-2-ylmethylsulfanyl)pyridazin-3-amine (CID 10125810) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(thiophen-2-ylmethylsulfanyl)pyridazin-3-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(thiophen-2-ylmethylsulfanyl)pyridazin-3-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(thiophen-2-ylmethylsulfanyl)pyridazin-3-amine is c1csc(CSc2cnnc(Nc3cc(C4CC4)[nH]n3)c2)c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(thiophen-2-ylmethylsulfanyl)pyridazin-3-amine?
The InChIKey is UXOVXLAJZZDZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S2/c1-2-11(21-5-1)9-22-12-6-14(19-16-8-12)17-15-7-13(18-20-15)10-3-4-10/h1-2,5-8,10H,3-4,9H2,(H2,17,18,19,20).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(thiophen-2-ylmethylsulfanyl)pyridazin-3-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(thiophen-2-ylmethylsulfanyl)pyridazin-3-amine has a molecular weight of 329.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(thiophen-2-ylmethylsulfanyl)pyridazin-3-amine is sourced from PubChem (CID 10125810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).