N-(furan-2-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide

C18H15N5O2S — CID 3239237

IUPACN-(furan-2-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESO=C(CSc1ccc2nnc(-c3ccccc3)n2n1)NCc1ccco1
InChIInChI=1S/C18H15N5O2S/c24-16(19-11-14-7-4-10-25-14)12-26-17-9-8-15-20-21-18(23(15)22-17)13-5-2-1-3-6-13/h1-10H,11-12H2,(H,19,24)
InChIKeySJXMINDUMZWKMI-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.79
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide

N-(furan-2-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (PubChem CID 3239237) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
PubChem CID3239237
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC NameN-(furan-2-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESO=C(CSc1ccc2nnc(-c3ccccc3)n2n1)NCc1ccco1
InChIInChI=1S/C18H15N5O2S/c24-16(19-11-14-7-4-10-25-14)12-26-17-9-8-15-20-21-18(23(15)22-17)13-5-2-1-3-6-13/h1-10H,11-12H2,(H,19,24)
InChIKeySJXMINDUMZWKMI-UHFFFAOYSA-N
XLogP2.79
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (CID 3239237) is N-(furan-2-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The InChIKey is SJXMINDUMZWKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c24-16(19-11-14-7-4-10-25-14)12-26-17-9-8-15-20-21-18(23(15)22-17)13-5-2-1-3-6-13/h1-10H,11-12H2,(H,19,24).
What are the key properties of N-(furan-2-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide has a molecular weight of 365.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 3239237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).