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

C16H16N4O2 — CID 22514359

IUPACN-[(4-methylphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCc1ccc(CNC(=O)Cn2ncn3cccc3c2=O)cc1
InChIInChI=1S/C16H16N4O2/c1-12-4-6-13(7-5-12)9-17-15(21)10-20-16(22)14-3-2-8-19(14)11-18-20/h2-8,11H,9-10H2,1H3,(H,17,21)
InChIKeyRURDZRGWYJBGJV-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.12
Rot. Bonds4

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

N-[(4-methylphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 22514359) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID22514359
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[(4-methylphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCc1ccc(CNC(=O)Cn2ncn3cccc3c2=O)cc1
InChIInChI=1S/C16H16N4O2/c1-12-4-6-13(7-5-12)9-17-15(21)10-20-16(22)14-3-2-8-19(14)11-18-20/h2-8,11H,9-10H2,1H3,(H,17,21)
InChIKeyRURDZRGWYJBGJV-UHFFFAOYSA-N
XLogP1.12
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 22514359) is N-[(4-methylphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is Cc1ccc(CNC(=O)Cn2ncn3cccc3c2=O)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is RURDZRGWYJBGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-12-4-6-13(7-5-12)9-17-15(21)10-20-16(22)14-3-2-8-19(14)11-18-20/h2-8,11H,9-10H2,1H3,(H,17,21).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-[(4-methylphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 22514359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).