N-(5-methyl-1,2-oxazol-3-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide

C15H12N6O2S — CID 6401007

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
SMILESCc1cc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)no1
InChIInChI=1S/C15H12N6O2S/c1-8-6-11(21-23-8)17-12(22)7-24-15-18-14-13(19-20-15)9-4-2-3-5-10(9)16-14/h2-6H,7H2,1H3,(H,16,18,20)(H,17,21,22)
InChIKeyMBMPQXZXQHPYHX-UHFFFAOYSA-N
MW340.37 g/mol
LogP2.53
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide (PubChem CID 6401007) has the molecular formula C15H12N6O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
PubChem CID6401007
Molecular FormulaC15H12N6O2S
Molecular Weight340.37 g/mol
Exact Mass340.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
SMILESCc1cc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)no1
InChIInChI=1S/C15H12N6O2S/c1-8-6-11(21-23-8)17-12(22)7-24-15-18-14-13(19-20-15)9-4-2-3-5-10(9)16-14/h2-6H,7H2,1H3,(H,16,18,20)(H,17,21,22)
InChIKeyMBMPQXZXQHPYHX-UHFFFAOYSA-N
XLogP2.53
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide (CID 6401007) is N-(5-methyl-1,2-oxazol-3-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide is Cc1cc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide?
The InChIKey is MBMPQXZXQHPYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2S/c1-8-6-11(21-23-8)17-12(22)7-24-15-18-14-13(19-20-15)9-4-2-3-5-10(9)16-14/h2-6H,7H2,1H3,(H,16,18,20)(H,17,21,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide has a molecular weight of 340.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide is sourced from PubChem (CID 6401007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).