N-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride

C11H13ClN4O — CID 117071392

IUPACN-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride
SMILESCCc1ccccc1NC(=O)c1ncn[nH]1.Cl
InChIInChI=1S/C11H12N4O.ClH/c1-2-8-5-3-4-6-9(8)14-11(16)10-12-7-13-15-10;/h3-7H,2H2,1H3,(H,14,16)(H,12,13,15);1H
InChIKeyNUQWTCBETHTJNJ-UHFFFAOYSA-N
MW252.71 g/mol
LogP2.04
Rot. Bonds3

About N-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride

N-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride (PubChem CID 117071392) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride
PubChem CID117071392
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC NameN-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride
SMILESCCc1ccccc1NC(=O)c1ncn[nH]1.Cl
InChIInChI=1S/C11H12N4O.ClH/c1-2-8-5-3-4-6-9(8)14-11(16)10-12-7-13-15-10;/h3-7H,2H2,1H3,(H,14,16)(H,12,13,15);1H
InChIKeyNUQWTCBETHTJNJ-UHFFFAOYSA-N
XLogP2.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 63654524
N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 102907600
N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 755004
N-(2-iodophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 604403
N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 779767
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 107000026
N-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 110857692
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-(2,4-diiodophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 71960344
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
2-(2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 65362636

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride (CID 117071392) is N-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride is CCc1ccccc1NC(=O)c1ncn[nH]1.Cl.
What is the InChIKey of N-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride?
The InChIKey is NUQWTCBETHTJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O.ClH/c1-2-8-5-3-4-6-9(8)14-11(16)10-12-7-13-15-10;/h3-7H,2H2,1H3,(H,14,16)(H,12,13,15);1H.
What are the key properties of N-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride?
N-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride has a molecular weight of 252.71 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 117071392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).