N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C24H30N6O — CID 60553494

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H30N6O/c1-2-28-16-18-29(19-17-28)15-9-14-25-24(31)22-26-23(20-10-5-3-6-11-20)30(27-22)21-12-7-4-8-13-21/h3-8,10-13H,2,9,14-19H2,1H3,(H,25,31)
InChIKeyFQNYOFTVVGIWGJ-UHFFFAOYSA-N
MW418.55 g/mol
LogP2.69
Rot. Bonds8

About N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 60553494) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID60553494
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H30N6O/c1-2-28-16-18-29(19-17-28)15-9-14-25-24(31)22-26-23(20-10-5-3-6-11-20)30(27-22)21-12-7-4-8-13-21/h3-8,10-13H,2,9,14-19H2,1H3,(H,25,31)
InChIKeyFQNYOFTVVGIWGJ-UHFFFAOYSA-N
XLogP2.69
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 52718659
ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]butanoate
CID 37258916
5-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 78871175
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 50745472
6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide
CID 38447789
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide
CID 46288008
3-(4-ethoxyphenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxophthalazine-1-carboxamide
CID 20970826
5-methyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692539
5-(3-methoxyphenyl)-1-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 17052437
ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 46636610

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 60553494) is N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is CCN1CCN(CCCNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is FQNYOFTVVGIWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-2-28-16-18-29(19-17-28)15-9-14-25-24(31)22-26-23(20-10-5-3-6-11-20)30(27-22)21-12-7-4-8-13-21/h3-8,10-13H,2,9,14-19H2,1H3,(H,25,31).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 418.55 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 60553494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).