3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide

C17H18N6O2 — CID 77090946

IUPAC3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
SMILESCOc1cccc(CCC(=O)NCc2nc(-c3cnccn3)n[nH]2)c1
InChIInChI=1S/C17H18N6O2/c1-25-13-4-2-3-12(9-13)5-6-16(24)20-11-15-21-17(23-22-15)14-10-18-7-8-19-14/h2-4,7-10H,5-6,11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyOTGBSRGIYMZXJY-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.52
Rot. Bonds7

About 3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide

3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide (PubChem CID 77090946) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
PubChem CID77090946
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
SMILESCOc1cccc(CCC(=O)NCc2nc(-c3cnccn3)n[nH]2)c1
InChIInChI=1S/C17H18N6O2/c1-25-13-4-2-3-12(9-13)5-6-16(24)20-11-15-21-17(23-22-15)14-10-18-7-8-19-14/h2-4,7-10H,5-6,11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyOTGBSRGIYMZXJY-UHFFFAOYSA-N
XLogP1.52
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473
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2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
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N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
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3-(3-methoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
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3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
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2-(2,5-dimethoxyphenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
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N-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925738
3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840754
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide (CID 77090946) is 3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide is COc1cccc(CCC(=O)NCc2nc(-c3cnccn3)n[nH]2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide?
The InChIKey is OTGBSRGIYMZXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-25-13-4-2-3-12(9-13)5-6-16(24)20-11-15-21-17(23-22-15)14-10-18-7-8-19-14/h2-4,7-10H,5-6,11H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide?
3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide has a molecular weight of 338.37 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide is sourced from PubChem (CID 77090946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).