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

C12H21N5O2 — CID 108526242

IUPACN-(1H-1,2,4-triazol-5-yl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C12H21N5O2/c1-11(2,3)6-12(4,5)16-9(19)8(18)15-10-13-7-14-17-10/h7H,6H2,1-5H3,(H,16,19)(H2,13,14,15,17,18)
InChIKeyHSWXNGMOTRONBQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.07
Rot. Bonds3

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

N-(1H-1,2,4-triazol-5-yl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide (PubChem CID 108526242) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
PubChem CID108526242
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-(1H-1,2,4-triazol-5-yl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C12H21N5O2/c1-11(2,3)6-12(4,5)16-9(19)8(18)15-10-13-7-14-17-10/h7H,6H2,1-5H3,(H,16,19)(H2,13,14,15,17,18)
InChIKeyHSWXNGMOTRONBQ-UHFFFAOYSA-N
XLogP1.07
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529940
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-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108500305
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-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526288
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-(3,4-dimethylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108523109

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide (CID 108526242) is N-(1H-1,2,4-triazol-5-yl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide is CC(C)(C)CC(C)(C)NC(=O)C(=O)Nc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The InChIKey is HSWXNGMOTRONBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-11(2,3)6-12(4,5)16-9(19)8(18)15-10-13-7-14-17-10/h7H,6H2,1-5H3,(H,16,19)(H2,13,14,15,17,18).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
N-(1H-1,2,4-triazol-5-yl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide has a molecular weight of 267.33 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide is sourced from PubChem (CID 108526242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).