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

C17H18N4O2 — CID 22514399

IUPACN-benzyl-N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCc1nn(CC(=O)N(C)Cc2ccccc2)c(=O)c2cccn12
InChIInChI=1S/C17H18N4O2/c1-13-18-21(17(23)15-9-6-10-20(13)15)12-16(22)19(2)11-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3
InChIKeyIVHNPPGARGSMFH-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.46
Rot. Bonds4

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

N-benzyl-N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 22514399) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID22514399
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-benzyl-N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCc1nn(CC(=O)N(C)Cc2ccccc2)c(=O)c2cccn12
InChIInChI=1S/C17H18N4O2/c1-13-18-21(17(23)15-9-6-10-20(13)15)12-16(22)19(2)11-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3
InChIKeyIVHNPPGARGSMFH-UHFFFAOYSA-N
XLogP1.46
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-benzyl-N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 22514399) is N-benzyl-N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is Cc1nn(CC(=O)N(C)Cc2ccccc2)c(=O)c2cccn12.
What is the InChIKey of N-benzyl-N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is IVHNPPGARGSMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13-18-21(17(23)15-9-6-10-20(13)15)12-16(22)19(2)11-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-benzyl-N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 22514399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).