4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one

C15H20N4O2 — CID 22514403

IUPAC4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCc1nn(CC(=O)N2CCC(C)CC2)c(=O)c2cccn12
InChIInChI=1S/C15H20N4O2/c1-11-5-8-17(9-6-11)14(20)10-19-15(21)13-4-3-7-18(13)12(2)16-19/h3-4,7,11H,5-6,8-10H2,1-2H3
InChIKeyYCGHGWXTPBBNJP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.06
Rot. Bonds2

About 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one

4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one (PubChem CID 22514403) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one.

Molecular Properties

Compound Name4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
PubChem CID22514403
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCc1nn(CC(=O)N2CCC(C)CC2)c(=O)c2cccn12
InChIInChI=1S/C15H20N4O2/c1-11-5-8-17(9-6-11)14(20)10-19-15(21)13-4-3-7-18(13)12(2)16-19/h3-4,7,11H,5-6,8-10H2,1-2H3
InChIKeyYCGHGWXTPBBNJP-UHFFFAOYSA-N
XLogP1.06
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 3240920
Peramine
CID 114748
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
ethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)propanoate
CID 3240210
4-Methyl-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 16017226
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16017245
N-(3-Acetylphenyl)-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-D][1,2,4]triazin-2-YL}acetamide
CID 16017267
N-(2-ethyl-6-methylphenyl)-2-(4-methyl-1-oxo-2-pyrrolo[1,2-d][1,2,4]triazinyl)acetamide
CID 16017270
2-{2-[4-(2,5-dimethylphenyl)piperazino]-2-oxoethyl}pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
CID 22514332

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The IUPAC name of 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one (CID 22514403) is 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one.
What is the SMILES notation for 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The canonical SMILES for 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one is Cc1nn(CC(=O)N2CCC(C)CC2)c(=O)c2cccn12.
What is the InChIKey of 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The InChIKey is YCGHGWXTPBBNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-5-8-17(9-6-11)14(20)10-19-15(21)13-4-3-7-18(13)12(2)16-19/h3-4,7,11H,5-6,8-10H2,1-2H3.
What are the key properties of 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one has a molecular weight of 288.35 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one is sourced from PubChem (CID 22514403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).