N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide

C15H17N5O2S — CID 122278018

IUPACN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NCCn1nc(C2CC2)ccc1=O
InChIInChI=1S/C15H17N5O2S/c21-13(10-23-15-17-6-1-7-18-15)16-8-9-20-14(22)5-4-12(19-20)11-2-3-11/h1,4-7,11H,2-3,8-10H2,(H,16,21)
InChIKeyGQSULHKEOJIHOW-UHFFFAOYSA-N
MW331.40 g/mol
LogP0.82
Rot. Bonds7

About N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 122278018) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID122278018
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NCCn1nc(C2CC2)ccc1=O
InChIInChI=1S/C15H17N5O2S/c21-13(10-23-15-17-6-1-7-18-15)16-8-9-20-14(22)5-4-12(19-20)11-2-3-11/h1,4-7,11H,2-3,8-10H2,(H,16,21)
InChIKeyGQSULHKEOJIHOW-UHFFFAOYSA-N
XLogP0.82
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide (CID 122278018) is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)NCCn1nc(C2CC2)ccc1=O.
What is the InChIKey of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is GQSULHKEOJIHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c21-13(10-23-15-17-6-1-7-18-15)16-8-9-20-14(22)5-4-12(19-20)11-2-3-11/h1,4-7,11H,2-3,8-10H2,(H,16,21).
What are the key properties of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 331.40 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 122278018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).