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

C18H27N5O2 — CID 22514486

IUPAC2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCc1nn(CC(=O)NCCCN2CCCCC2C)c(=O)c2cccn12
InChIInChI=1S/C18H27N5O2/c1-14-7-3-4-10-21(14)11-6-9-19-17(24)13-23-18(25)16-8-5-12-22(16)15(2)20-23/h5,8,12,14H,3-4,6-7,9-11,13H2,1-2H3,(H,19,24)
InChIKeyOYWGMGLKPGTRMC-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.19
Rot. Bonds6

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

2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 22514486) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
PubChem CID22514486
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCc1nn(CC(=O)NCCCN2CCCCC2C)c(=O)c2cccn12
InChIInChI=1S/C18H27N5O2/c1-14-7-3-4-10-21(14)11-6-9-19-17(24)13-23-18(25)16-8-5-12-22(16)15(2)20-23/h5,8,12,14H,3-4,6-7,9-11,13H2,1-2H3,(H,19,24)
InChIKeyOYWGMGLKPGTRMC-UHFFFAOYSA-N
XLogP1.19
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.19
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

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-{1-[(cyclopentylamino)carbonyl]-1-methylpropyl}-N-methylpyridine-2-carboxamide
CID 3515437
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-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrrolo[2,1-f][1,2,4]triazin-2-yl)propyl]-4-methylbenzamide
CID 9872853
N,6-dimethyl-7-oxo-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338530
N,6-dimethyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338574

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (CID 22514486) is 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is Cc1nn(CC(=O)NCCCN2CCCCC2C)c(=O)c2cccn12.
What is the InChIKey of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is OYWGMGLKPGTRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14-7-3-4-10-21(14)11-6-9-19-17(24)13-23-18(25)16-8-5-12-22(16)15(2)20-23/h5,8,12,14H,3-4,6-7,9-11,13H2,1-2H3,(H,19,24).
What are the key properties of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 22514486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).