N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide

C8H13N5O3 — CID 108529940

IUPACN'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide
SMILESCC(C)(CO)NC(=O)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H13N5O3/c1-8(2,3-14)12-6(16)5(15)11-7-9-4-10-13-7/h4,14H,3H2,1-2H3,(H,12,16)(H2,9,10,11,13,15)
InChIKeyZUPGMWBOCZPSND-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.37
Rot. Bonds3

About N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide

N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide (PubChem CID 108529940) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide.

Molecular Properties

Compound NameN'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide
PubChem CID108529940
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC NameN'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide
SMILESCC(C)(CO)NC(=O)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H13N5O3/c1-8(2,3-14)12-6(16)5(15)11-7-9-4-10-13-7/h4,14H,3H2,1-2H3,(H,12,16)(H2,9,10,11,13,15)
InChIKeyZUPGMWBOCZPSND-UHFFFAOYSA-N
XLogP-1.37
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-1,2,4-triazol-5-yl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526242
N-cyclopentyl-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108506010
(E)-2,3-dimethyl-4-oxo-4-(1H-1,2,4-triazol-5-ylamino)but-2-enoic acid
CID 122235567
N-(1H-1,2,4-triazol-5-yl)butanamide
CID 5020131
N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529879
(E)-3-methyl-4-oxo-4-(1H-1,2,4-triazol-5-ylamino)but-2-enoic acid
CID 82335526
N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529871
N-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108500578
N-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108511819
N-(1H-1,2,4-triazol-5-yl)but-2-enamide
CID 76981365
2-bromo-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 82110523
2-ethoxy-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61216264

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide?
The IUPAC name of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide (CID 108529940) is N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide.
What is the SMILES notation for N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide?
The canonical SMILES for N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide is CC(C)(CO)NC(=O)C(=O)Nc1ncn[nH]1.
What is the InChIKey of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide?
The InChIKey is ZUPGMWBOCZPSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c1-8(2,3-14)12-6(16)5(15)11-7-9-4-10-13-7/h4,14H,3H2,1-2H3,(H,12,16)(H2,9,10,11,13,15).
What are the key properties of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide?
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide has a molecular weight of 227.22 g/mol, XLogP of -1.37, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide is sourced from PubChem (CID 108529940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).