N-methyl-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide

C9H10N6O2 — CID 59698743

IUPACN-methyl-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide
SMILESCNC(=O)COc1n[nH]c(-c2ccncn2)n1
InChIInChI=1S/C9H10N6O2/c1-10-7(16)4-17-9-13-8(14-15-9)6-2-3-11-5-12-6/h2-3,5H,4H2,1H3,(H,10,16)(H,13,14,15)
InChIKeyIHOGJQRJBQDFJO-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.61
Rot. Bonds4

About N-methyl-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide

N-methyl-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide (PubChem CID 59698743) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is N-methyl-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide
PubChem CID59698743
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC NameN-methyl-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide
SMILESCNC(=O)COc1n[nH]c(-c2ccncn2)n1
InChIInChI=1S/C9H10N6O2/c1-10-7(16)4-17-9-13-8(14-15-9)6-2-3-11-5-12-6/h2-3,5H,4H2,1H3,(H,10,16)(H,13,14,15)
InChIKeyIHOGJQRJBQDFJO-UHFFFAOYSA-N
XLogP-0.61
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide?
The IUPAC name of N-methyl-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide (CID 59698743) is N-methyl-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide.
What is the SMILES notation for N-methyl-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide?
The canonical SMILES for N-methyl-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide is CNC(=O)COc1n[nH]c(-c2ccncn2)n1.
What is the InChIKey of N-methyl-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide?
The InChIKey is IHOGJQRJBQDFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-10-7(16)4-17-9-13-8(14-15-9)6-2-3-11-5-12-6/h2-3,5H,4H2,1H3,(H,10,16)(H,13,14,15).
What are the key properties of N-methyl-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide?
N-methyl-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide has a molecular weight of 234.22 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide is sourced from PubChem (CID 59698743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).