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

C14H18N4O2 — CID 22514428

IUPACN-cyclopentyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCCC2)c(=O)c2cccn12
InChIInChI=1S/C14H18N4O2/c1-10-16-18(14(20)12-7-4-8-17(10)12)9-13(19)15-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,15,19)
InChIKeyMOZDBJHDBIPXEP-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.86
Rot. Bonds3

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

N-cyclopentyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 22514428) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID22514428
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-cyclopentyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCCC2)c(=O)c2cccn12
InChIInChI=1S/C14H18N4O2/c1-10-16-18(14(20)12-7-4-8-17(10)12)9-13(19)15-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,15,19)
InChIKeyMOZDBJHDBIPXEP-UHFFFAOYSA-N
XLogP0.86
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 22514428) is N-cyclopentyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is Cc1nn(CC(=O)NC2CCCC2)c(=O)c2cccn12.
What is the InChIKey of N-cyclopentyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is MOZDBJHDBIPXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-16-18(14(20)12-7-4-8-17(10)12)9-13(19)15-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,15,19).
What are the key properties of N-cyclopentyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-cyclopentyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 22514428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).