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

C12H14N4O2 — CID 83092656

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide
SMILESCOc1n[nH]c(NC(=O)c2ccc(C)cc2C)n1
InChIInChI=1S/C12H14N4O2/c1-7-4-5-9(8(2)6-7)10(17)13-11-14-12(18-3)16-15-11/h4-6H,1-3H3,(H2,13,14,15,16,17)
InChIKeyQDSGDTXJFNGVSA-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.68
Rot. Bonds3

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide (PubChem CID 83092656) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide
PubChem CID83092656
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide
SMILESCOc1n[nH]c(NC(=O)c2ccc(C)cc2C)n1
InChIInChI=1S/C12H14N4O2/c1-7-4-5-9(8(2)6-7)10(17)13-11-14-12(18-3)16-15-11/h4-6H,1-3H3,(H2,13,14,15,16,17)
InChIKeyQDSGDTXJFNGVSA-UHFFFAOYSA-N
XLogP1.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 112631345
2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83086537
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 83093523
2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 107724991
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-methyl-2-nitrobenzamide
CID 83092359
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 83101088
2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83092748
N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 83097711
3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 83093710
4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83093226
2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide
CID 106688417
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-propan-2-ylbenzamide
CID 83086635

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide (CID 83092656) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide is COc1n[nH]c(NC(=O)c2ccc(C)cc2C)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide?
The InChIKey is QDSGDTXJFNGVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-4-5-9(8(2)6-7)10(17)13-11-14-12(18-3)16-15-11/h4-6H,1-3H3,(H2,13,14,15,16,17).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide has a molecular weight of 246.27 g/mol, XLogP of 1.68, 3 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)-2,4-dimethylbenzamide is sourced from PubChem (CID 83092656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).