N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide

C13H16N4O2 — CID 83092749

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide
SMILESCOc1n[nH]c(NC(=O)C(C)(C)c2ccccc2)n1
InChIInChI=1S/C13H16N4O2/c1-13(2,9-7-5-4-6-8-9)10(18)14-11-15-12(19-3)17-16-11/h4-8H,1-3H3,(H2,14,15,16,17,18)
InChIKeyRTMRZJOYLBOTLC-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.73
Rot. Bonds4

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide (PubChem CID 83092749) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide
PubChem CID83092749
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide
SMILESCOc1n[nH]c(NC(=O)C(C)(C)c2ccccc2)n1
InChIInChI=1S/C13H16N4O2/c1-13(2,9-7-5-4-6-8-9)10(18)14-11-15-12(19-3)17-16-11/h4-8H,1-3H3,(H2,14,15,16,17,18)
InChIKeyRTMRZJOYLBOTLC-UHFFFAOYSA-N
XLogP1.73
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide
CID 83102734
3-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide
CID 83101437
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide
CID 83092837
(E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide
CID 83092558
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)-1H-indazole-3-carboxamide
CID 83086847
2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83092939
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)quinoxaline-2-carboxamide
CID 83102478
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide
CID 83097160
4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83093226
N-methoxy-2-methyl-2-phenylpropanamide
CID 60717949

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide (CID 83092749) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide is COc1n[nH]c(NC(=O)C(C)(C)c2ccccc2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide?
The InChIKey is RTMRZJOYLBOTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-13(2,9-7-5-4-6-8-9)10(18)14-11-15-12(19-3)17-16-11/h4-8H,1-3H3,(H2,14,15,16,17,18).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide has a molecular weight of 260.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 83092749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).