N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide

C9H11N5O3 — CID 606911

IUPACN-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCOCc1cc(=O)n2[nH]c(NC(C)=O)nc2n1
InChIInChI=1S/C9H11N5O3/c1-5(15)10-8-12-9-11-6(4-17-2)3-7(16)14(9)13-8/h3H,4H2,1-2H3,(H2,10,11,12,13,15)
InChIKeyFNQKLVPLDPYUKB-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.48
Rot. Bonds3

About N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide

N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide (PubChem CID 606911) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
PubChem CID606911
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC NameN-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCOCc1cc(=O)n2[nH]c(NC(C)=O)nc2n1
InChIInChI=1S/C9H11N5O3/c1-5(15)10-8-12-9-11-6(4-17-2)3-7(16)14(9)13-8/h3H,4H2,1-2H3,(H2,10,11,12,13,15)
InChIKeyFNQKLVPLDPYUKB-UHFFFAOYSA-N
XLogP-0.48
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide (CID 606911) is N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide is COCc1cc(=O)n2[nH]c(NC(C)=O)nc2n1.
What is the InChIKey of N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
The InChIKey is FNQKLVPLDPYUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c1-5(15)10-8-12-9-11-6(4-17-2)3-7(16)14(9)13-8/h3H,4H2,1-2H3,(H2,10,11,12,13,15).
What are the key properties of N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide has a molecular weight of 237.22 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 606911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).