N-(3-ethylphenyl)-2-methyl-1,2,4-triazole-3-carboxamide

C12H14N4O — CID 139481787

IUPACN-(3-ethylphenyl)-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCCc1cccc(NC(=O)c2ncnn2C)c1
InChIInChI=1S/C12H14N4O/c1-3-9-5-4-6-10(7-9)15-12(17)11-13-8-14-16(11)2/h4-8H,3H2,1-2H3,(H,15,17)
InChIKeyJUPLLVAZCCAQQL-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.63
Rot. Bonds3

About N-(3-ethylphenyl)-2-methyl-1,2,4-triazole-3-carboxamide

N-(3-ethylphenyl)-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 139481787) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-methyl-1,2,4-triazole-3-carboxamide
PubChem CID139481787
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(3-ethylphenyl)-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCCc1cccc(NC(=O)c2ncnn2C)c1
InChIInChI=1S/C12H14N4O/c1-3-9-5-4-6-10(7-9)15-12(17)11-13-8-14-16(11)2/h4-8H,3H2,1-2H3,(H,15,17)
InChIKeyJUPLLVAZCCAQQL-UHFFFAOYSA-N
XLogP1.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-(3-chloropropyl)phenyl]-3-ethyl-1-methylpyrazole-4-carboxamide
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N-(3-ethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
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methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-2-methyl-1,2,4-triazole-3-carboxamide (CID 139481787) is N-(3-ethylphenyl)-2-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-2-methyl-1,2,4-triazole-3-carboxamide is CCc1cccc(NC(=O)c2ncnn2C)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is JUPLLVAZCCAQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-3-9-5-4-6-10(7-9)15-12(17)11-13-8-14-16(11)2/h4-8H,3H2,1-2H3,(H,15,17).
What are the key properties of N-(3-ethylphenyl)-2-methyl-1,2,4-triazole-3-carboxamide?
N-(3-ethylphenyl)-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 139481787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).