N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide

C8H10N6O2 — CID 83093046

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide
SMILESCOc1n[nH]c(NC(=O)Cn2cccn2)n1
InChIInChI=1S/C8H10N6O2/c1-16-8-11-7(12-13-8)10-6(15)5-14-4-2-3-9-14/h2-4H,5H2,1H3,(H2,10,11,12,13,15)
InChIKeyBYSKKXLTOVBEGX-UHFFFAOYSA-N
MW222.21 g/mol
LogP-0.35
Rot. Bonds4

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide (PubChem CID 83093046) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide
PubChem CID83093046
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide
SMILESCOc1n[nH]c(NC(=O)Cn2cccn2)n1
InChIInChI=1S/C8H10N6O2/c1-16-8-11-7(12-13-8)10-6(15)5-14-4-2-3-9-14/h2-4H,5H2,1H3,(H2,10,11,12,13,15)
InChIKeyBYSKKXLTOVBEGX-UHFFFAOYSA-N
XLogP-0.35
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093707
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide
CID 83090123
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 83093509
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-2-ylacetamide
CID 83101826
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide
CID 83092837
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603304
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 83102521
2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093520
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-pyrazol-1-ylacetamide
CID 122356086
N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 83097711
N-(2,6-dichlorophenyl)-2-pyrazol-1-ylacetamide
CID 110690005
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 154786179

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide (CID 83093046) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide is COc1n[nH]c(NC(=O)Cn2cccn2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide?
The InChIKey is BYSKKXLTOVBEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c1-16-8-11-7(12-13-8)10-6(15)5-14-4-2-3-9-14/h2-4H,5H2,1H3,(H2,10,11,12,13,15).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide has a molecular weight of 222.21 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 83093046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).