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

C11H12N4O — CID 779767

IUPACN-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2ncn[nH]2)cc1
InChIInChI=1S/C11H12N4O/c1-2-8-3-5-9(6-4-8)14-11(16)10-12-7-13-15-10/h3-7H,2H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyHGHBIYWLCNRPOR-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.62
Rot. Bonds3

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

N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 779767) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID779767
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2ncn[nH]2)cc1
InChIInChI=1S/C11H12N4O/c1-2-8-3-5-9(6-4-8)14-11(16)10-12-7-13-15-10/h3-7H,2H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyHGHBIYWLCNRPOR-UHFFFAOYSA-N
XLogP1.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 743922
N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 779758
N-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride
CID 117071392
N-(6-amino-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide
CID 63653831
N-(4-ethylphenyl)-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 6497089
N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691732
N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 63654524
N-(4-ethylphenyl)benzamide
CID 774063
N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749130
N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 755004
5-(chloromethyl)-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 39869937
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 779767) is N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide is CCc1ccc(NC(=O)c2ncn[nH]2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is HGHBIYWLCNRPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-8-3-5-9(6-4-8)14-11(16)10-12-7-13-15-10/h3-7H,2H2,1H3,(H,14,16)(H,12,13,15).
What are the key properties of N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide?
N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 779767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).