5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide

C19H21N5O — CID 50928986

IUPAC5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide
SMILESCCc1ccc(Nc2n[nH]nc2C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C19H21N5O/c1-3-14-9-11-16(12-10-14)21-18-17(22-24-23-18)19(25)20-13(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,20,25)(H2,21,22,23,24)
InChIKeyIULRPKODRPTFFB-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.60
Rot. Bonds6

About 5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide

5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide (PubChem CID 50928986) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide
PubChem CID50928986
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide
SMILESCCc1ccc(Nc2n[nH]nc2C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C19H21N5O/c1-3-14-9-11-16(12-10-14)21-18-17(22-24-23-18)19(25)20-13(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,20,25)(H2,21,22,23,24)
InChIKeyIULRPKODRPTFFB-UHFFFAOYSA-N
XLogP3.60
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylanilino)-N-[1-(4-fluorophenyl)ethyl]-2H-triazole-4-carboxamide
CID 50928987
5-(2-fluoroanilino)-N-[(1R)-1-phenylethyl]-2H-triazole-4-carboxamide
CID 95183687
5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide
CID 110484935
3-N-(4-ethylphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105379
N-[1-(4-ethylphenyl)ethyl]-3,3-diphenylpropanamide
CID 17326867
N-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide
CID 91287100
[4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate
CID 23597756
3-amino-N-[1-(4-ethylphenyl)ethyl]pyridine-2-carboxamide
CID 104741215
N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820248
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
N-[1-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 17326783
3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 51853849

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide (CID 50928986) is 5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide is CCc1ccc(Nc2n[nH]nc2C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide?
The InChIKey is IULRPKODRPTFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-3-14-9-11-16(12-10-14)21-18-17(22-24-23-18)19(25)20-13(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,20,25)(H2,21,22,23,24).
What are the key properties of 5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide?
5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 50928986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).