N-(furan-3-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

C17H15N5O2S — CID 6403209

IUPACN-(furan-3-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
SMILESCn1c2ccccc2c2nnc(SCC(=O)NCc3ccoc3)nc21
InChIInChI=1S/C17H15N5O2S/c1-22-13-5-3-2-4-12(13)15-16(22)19-17(21-20-15)25-10-14(23)18-8-11-6-7-24-9-11/h2-7,9H,8,10H2,1H3,(H,18,23)
InChIKeyURRDZOJOJAAKBQ-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.52
Rot. Bonds5

About N-(furan-3-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

N-(furan-3-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide (PubChem CID 6403209) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
PubChem CID6403209
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC NameN-(furan-3-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
SMILESCn1c2ccccc2c2nnc(SCC(=O)NCc3ccoc3)nc21
InChIInChI=1S/C17H15N5O2S/c1-22-13-5-3-2-4-12(13)15-16(22)19-17(21-20-15)25-10-14(23)18-8-11-6-7-24-9-11/h2-7,9H,8,10H2,1H3,(H,18,23)
InChIKeyURRDZOJOJAAKBQ-UHFFFAOYSA-N
XLogP2.52
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(furan-3-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-{[4-allyl-5-(2-quinolinyl)-4H-1,2,4-triazol-3-yl]thio}-N-(2-furylmethyl)acetamide
CID 1094854
N-(6-(4-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)pivalamide
CID 118538720
2-(4,8-Dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 646293
2-(4,7-Dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 647919
N-Furan-2-ylmethyl-2-(5-isopropyl-[1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)-acetamide
CID 652183
1-(2,3-Dimethyl-indol-1-yl)-2-[4-(3-methoxy-propyl)-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone
CID 654043
N-(2-furylmethyl)-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide
CID 982947
N-(2-furylmethyl)-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}thio)acetamide
CID 3238262
2-(6-benzimidazolo[1,2-c]quinazolinylthio)-N-(2-furanylmethyl)acetamide
CID 3238872
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide
CID 3547036
N-(furan-2-ylmethyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 5290284
N-Cyclopentyl-2-(6-ethoxy-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
CID 5770534

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(furan-3-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide (CID 6403209) is N-(furan-3-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(furan-3-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is Cn1c2ccccc2c2nnc(SCC(=O)NCc3ccoc3)nc21.
What is the InChIKey of N-(furan-3-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The InChIKey is URRDZOJOJAAKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-22-13-5-3-2-4-12(13)15-16(22)19-17(21-20-15)25-10-14(23)18-8-11-6-7-24-9-11/h2-7,9H,8,10H2,1H3,(H,18,23).
What are the key properties of N-(furan-3-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
N-(furan-3-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide has a molecular weight of 353.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 6403209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).