N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide

C16H19N7O2 — CID 71702741

IUPACN-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESCC(C)Cc1nc(NC(=O)COc2ccccc2-n2cnnc2)n[nH]1
InChIInChI=1S/C16H19N7O2/c1-11(2)7-14-19-16(22-21-14)20-15(24)8-25-13-6-4-3-5-12(13)23-9-17-18-10-23/h3-6,9-11H,7-8H2,1-2H3,(H2,19,20,21,22,24)
InChIKeyLMJKYZHIIVWQRN-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.60
Rot. Bonds7

About N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide

N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide (PubChem CID 71702741) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
PubChem CID71702741
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC NameN-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESCC(C)Cc1nc(NC(=O)COc2ccccc2-n2cnnc2)n[nH]1
InChIInChI=1S/C16H19N7O2/c1-11(2)7-14-19-16(22-21-14)20-15(24)8-25-13-6-4-3-5-12(13)23-9-17-18-10-23/h3-6,9-11H,7-8H2,1-2H3,(H2,19,20,21,22,24)
InChIKeyLMJKYZHIIVWQRN-UHFFFAOYSA-N
XLogP1.60
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-(2-methylpropyl)-2-[[2-[2-(1,2,4-triazol-4-yl)phenoxy]acetyl]amino]-1,3-thiazole-4-carboxylate
CID 71703925
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 71704706
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 75489295
2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 84595231
N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide
CID 91823188
N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 71701499
2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 125434106
1-methyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide
CID 71703539
2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36579720
1-[1-(2-fluorophenyl)piperidin-4-yl]-3-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]urea
CID 31106083
2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 91822510
2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246888

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The IUPAC name of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide (CID 71702741) is N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide is CC(C)Cc1nc(NC(=O)COc2ccccc2-n2cnnc2)n[nH]1.
What is the InChIKey of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The InChIKey is LMJKYZHIIVWQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-11(2)7-14-19-16(22-21-14)20-15(24)8-25-13-6-4-3-5-12(13)23-9-17-18-10-23/h3-6,9-11H,7-8H2,1-2H3,(H2,19,20,21,22,24).
What are the key properties of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide has a molecular weight of 341.38 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide is sourced from PubChem (CID 71702741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).