N-(3-methoxypropyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

C12H16N4O3 — CID 22514381

IUPACN-(3-methoxypropyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCOCCCNC(=O)Cn1ncn2cccc2c1=O
InChIInChI=1S/C12H16N4O3/c1-19-7-3-5-13-11(17)8-16-12(18)10-4-2-6-15(10)9-14-16/h2,4,6,9H,3,5,7-8H2,1H3,(H,13,17)
InChIKeyTYYVNDHVYJHLNT-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.35
Rot. Bonds6

About N-(3-methoxypropyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

N-(3-methoxypropyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 22514381) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID22514381
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-(3-methoxypropyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCOCCCNC(=O)Cn1ncn2cccc2c1=O
InChIInChI=1S/C12H16N4O3/c1-19-7-3-5-13-11(17)8-16-12(18)10-4-2-6-15(10)9-14-16/h2,4,6,9H,3,5,7-8H2,1H3,(H,13,17)
InChIKeyTYYVNDHVYJHLNT-UHFFFAOYSA-N
XLogP-0.35
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
CID 35523277
N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953643
N-(3-methoxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 46418575
2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methoxypropyl)acetamide
CID 20884837
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide
CID 110688767
N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514376
N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide
CID 63810814
N-(3-methoxypropyl)-2-(6-methylindazol-1-yl)acetamide
CID 22509905
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624167
N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521736
2-(4-ethyl-8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methoxypropyl)acetamide
CID 20885008
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-methoxyethyl)acetamide
CID 50926067

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 22514381) is N-(3-methoxypropyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is COCCCNC(=O)Cn1ncn2cccc2c1=O.
What is the InChIKey of N-(3-methoxypropyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is TYYVNDHVYJHLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-19-7-3-5-13-11(17)8-16-12(18)10-4-2-6-15(10)9-14-16/h2,4,6,9H,3,5,7-8H2,1H3,(H,13,17).
What are the key properties of N-(3-methoxypropyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-(3-methoxypropyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 264.28 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 22514381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).