1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide

C15H17N7O3 — CID 167963225

IUPAC1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide
SMILESCC(NC(=O)C1CNC(=O)N1)c1ccc(-n2cc(C(N)=O)nn2)cc1
InChIInChI=1S/C15H17N7O3/c1-8(18-14(24)11-6-17-15(25)19-11)9-2-4-10(5-3-9)22-7-12(13(16)23)20-21-22/h2-5,7-8,11H,6H2,1H3,(H2,16,23)(H,18,24)(H2,17,19,25)
InChIKeyFHWUBZUAYBDSDI-UHFFFAOYSA-N
MW343.35 g/mol
LogP-0.78
Rot. Bonds5

About 1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide

1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide (PubChem CID 167963225) has the molecular formula C15H17N7O3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide
PubChem CID167963225
Molecular FormulaC15H17N7O3
Molecular Weight343.35 g/mol
Exact Mass343.14
IUPAC Name1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide
SMILESCC(NC(=O)C1CNC(=O)N1)c1ccc(-n2cc(C(N)=O)nn2)cc1
InChIInChI=1S/C15H17N7O3/c1-8(18-14(24)11-6-17-15(25)19-11)9-2-4-10(5-3-9)22-7-12(13(16)23)20-21-22/h2-5,7-8,11H,6H2,1H3,(H2,16,23)(H,18,24)(H2,17,19,25)
InChIKeyFHWUBZUAYBDSDI-UHFFFAOYSA-N
XLogP-0.78
TPSA144.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide
CID 94032802
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1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide
CID 94063227
1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide
CID 56829402
1-[4-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]ethyl]phenyl]triazole-4-carboxamide
CID 166423135
1-[4-[(1R)-1-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]ethyl]phenyl]triazole-4-carboxamide
CID 94805716
1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide
CID 112708395
(4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide
CID 97070023
N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119338096
(4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide
CID 97089592
N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435694
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-phenyltriazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide?
The IUPAC name of 1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide (CID 167963225) is 1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide is CC(NC(=O)C1CNC(=O)N1)c1ccc(-n2cc(C(N)=O)nn2)cc1.
What is the InChIKey of 1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide?
The InChIKey is FHWUBZUAYBDSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3/c1-8(18-14(24)11-6-17-15(25)19-11)9-2-4-10(5-3-9)22-7-12(13(16)23)20-21-22/h2-5,7-8,11H,6H2,1H3,(H2,16,23)(H,18,24)(H2,17,19,25).
What are the key properties of 1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide?
1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide has a molecular weight of 343.35 g/mol, XLogP of -0.78, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide is sourced from PubChem (CID 167963225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).