N-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C11H11N5O3 — CID 166189190

IUPACN-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESNC(=O)C(NC(=O)c1n[nH]c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C11H11N5O3/c12-8(17)7(6-4-2-1-3-5-6)13-10(18)9-14-11(19)16-15-9/h1-5,7H,(H2,12,17)(H,13,18)(H2,14,15,16,19)
InChIKeyDNXSBKMUILUUQA-UHFFFAOYSA-N
MW261.24 g/mol
LogP-0.95
Rot. Bonds4

About N-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 166189190) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID166189190
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESNC(=O)C(NC(=O)c1n[nH]c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C11H11N5O3/c12-8(17)7(6-4-2-1-3-5-6)13-10(18)9-14-11(19)16-15-9/h1-5,7H,(H2,12,17)(H,13,18)(H2,14,15,16,19)
InChIKeyDNXSBKMUILUUQA-UHFFFAOYSA-N
XLogP-0.95
TPSA133.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 154839420
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136793202
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide
CID 94196966
N-[(1S)-2-amino-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 94572874
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 72866160
N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide
CID 166189674
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide
CID 59379266
N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide
CID 51492407
2-[(2-oxo-2-phenylacetyl)amino]-2-phenylacetamide
CID 13258038
2-(chloroamino)-2-phenylacetamide
CID 89152727
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide
CID 94608879
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 166189190) is N-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is NC(=O)C(NC(=O)c1n[nH]c(=O)[nH]1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is DNXSBKMUILUUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c12-8(17)7(6-4-2-1-3-5-6)13-10(18)9-14-11(19)16-15-9/h1-5,7H,(H2,12,17)(H,13,18)(H2,14,15,16,19).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 261.24 g/mol, XLogP of -0.95, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 166189190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).