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

C10H11N5O2 — CID 59698704

IUPACN-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide
SMILESCNC(=O)COc1n[nH]c(-c2ccncc2)n1
InChIInChI=1S/C10H11N5O2/c1-11-8(16)6-17-10-13-9(14-15-10)7-2-4-12-5-3-7/h2-5H,6H2,1H3,(H,11,16)(H,13,14,15)
InChIKeyBZIMITGHXWDKIT-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.01
Rot. Bonds4

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

N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide (PubChem CID 59698704) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide
PubChem CID59698704
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC NameN-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide
SMILESCNC(=O)COc1n[nH]c(-c2ccncc2)n1
InChIInChI=1S/C10H11N5O2/c1-11-8(16)6-17-10-13-9(14-15-10)7-2-4-12-5-3-7/h2-5H,6H2,1H3,(H,11,16)(H,13,14,15)
InChIKeyBZIMITGHXWDKIT-UHFFFAOYSA-N
XLogP-0.01
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide
CID 59698743
2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetic acid
CID 91673231
N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide
CID 10086929
2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)oxy]-N-sulfanylacetamide
CID 142921709
N-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide
CID 59698732
2-[[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]oxy]ethanol
CID 139692715
3-(2-methoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazole
CID 3299470
N-methyl-2-(4-pyridin-4-ylphenyl)acetamide
CID 39801868
N-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 936817
2-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylacetamide
CID 140829753
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
2-(2-ethylcyclohexyl)oxy-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 155950641

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide?
The IUPAC name of N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide (CID 59698704) is N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide.
What is the SMILES notation for N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide?
The canonical SMILES for N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide is CNC(=O)COc1n[nH]c(-c2ccncc2)n1.
What is the InChIKey of N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide?
The InChIKey is BZIMITGHXWDKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-11-8(16)6-17-10-13-9(14-15-10)7-2-4-12-5-3-7/h2-5H,6H2,1H3,(H,11,16)(H,13,14,15).
What are the key properties of N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide?
N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide has a molecular weight of 233.23 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide is sourced from PubChem (CID 59698704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).