N-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide

C21H25N5O — CID 120886952

IUPACN-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)N(CCN)CCc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H25N5O/c1-2-19-23-20(24-26(19)18-11-7-4-8-12-18)21(27)25(16-14-22)15-13-17-9-5-3-6-10-17/h3-12H,2,13-16,22H2,1H3
InChIKeyZLJAJYRWSISORC-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.47
Rot. Bonds8

About N-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide

N-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 120886952) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
PubChem CID120886952
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)N(CCN)CCc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H25N5O/c1-2-19-23-20(24-26(19)18-11-7-4-8-12-18)21(27)25(16-14-22)15-13-17-9-5-3-6-10-17/h3-12H,2,13-16,22H2,1H3
InChIKeyZLJAJYRWSISORC-UHFFFAOYSA-N
XLogP2.47
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-phenyl-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693071
N-benzyl-1-(3-methylphenyl)-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693124
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 120884432
1-(4-butylphenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid
CID 43652668
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
5-ethyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 43652368
5-benzyl-N-pentyl-N-propyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 59532288
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120884574
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide (CID 120886952) is N-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)N(CCN)CCc2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is ZLJAJYRWSISORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-2-19-23-20(24-26(19)18-11-7-4-8-12-18)21(27)25(16-14-22)15-13-17-9-5-3-6-10-17/h3-12H,2,13-16,22H2,1H3.
What are the key properties of N-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
N-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 120886952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).