N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

C10H12N4O2 — CID 45106475

IUPACN-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCNC(=O)Cn1nc(C)n2cccc2c1=O
InChIInChI=1S/C10H12N4O2/c1-7-12-14(6-9(15)11-2)10(16)8-4-3-5-13(7)8/h3-5H,6H2,1-2H3,(H,11,15)
InChIKeyXMMYKLJPJXOKCA-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.45
Rot. Bonds2

About N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 45106475) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID45106475
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCNC(=O)Cn1nc(C)n2cccc2c1=O
InChIInChI=1S/C10H12N4O2/c1-7-12-14(6-9(15)11-2)10(16)8-4-3-5-13(7)8/h3-5H,6H2,1-2H3,(H,11,15)
InChIKeyXMMYKLJPJXOKCA-UHFFFAOYSA-N
XLogP-0.45
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
CID 638578
N-cyclohexyl-1-methylpyrrole-2-carboxamide
CID 24978957
1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 3240920
Peramine
CID 114748
N-methyl-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide
CID 11008237
N,1-dimethyl-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide
CID 16110301
4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
CID 22514403
N-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514420
N-(2-Ethylphenyl)-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-D][1,2,4]triazin-2-YL}acetamide
CID 22514435
N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
CID 22514504
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
CID 22514526
N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]pyridine-2-carbohydrazide
CID 6867763

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 45106475) is N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is CNC(=O)Cn1nc(C)n2cccc2c1=O.
What is the InChIKey of N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is XMMYKLJPJXOKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7-12-14(6-9(15)11-2)10(16)8-4-3-5-13(7)8/h3-5H,6H2,1-2H3,(H,11,15).
What are the key properties of N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 220.23 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 45106475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).