5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1H-1,2,4-triazole-3-carboxamide

C12H22N4O2 — CID 113476032

IUPAC5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1H-1,2,4-triazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c(C(C)(C)C)n1)C(C)(C)CO
InChIInChI=1S/C12H22N4O2/c1-11(2,3)10-13-8(14-15-10)9(18)16(6)12(4,5)7-17/h17H,7H2,1-6H3,(H,13,14,15)
InChIKeyOHHNIMJBWFAUGV-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.95
Rot. Bonds3

About 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1H-1,2,4-triazole-3-carboxamide

5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 113476032) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID113476032
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1H-1,2,4-triazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c(C(C)(C)C)n1)C(C)(C)CO
InChIInChI=1S/C12H22N4O2/c1-11(2,3)10-13-8(14-15-10)9(18)16(6)12(4,5)7-17/h17H,7H2,1-6H3,(H,13,14,15)
InChIKeyOHHNIMJBWFAUGV-UHFFFAOYSA-N
XLogP0.95
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 113476111
5-tert-butyl-N-(5-hydroxypentyl)-N-methyl-1H-1,2,4-triazole-3-carboxamide
CID 107203152
5-tert-butyl-1H-1,2,4-triazole-3-carboxylic acid
CID 55263666
ethyl 2-[(5-tert-butyl-1H-1,2,4-triazole-3-carbonyl)-methylamino]acetate
CID 107858351
5-tert-butyl-N-(5-methylhexyl)-1H-1,2,4-triazole-3-carboxamide
CID 115326890
5-tert-butyl-N-(3-methylbut-2-enyl)-1H-1,2,4-triazole-3-carboxamide
CID 114156977
5-tert-butyl-N-[2-methyl-3-(methylamino)propyl]-1H-1,2,4-triazole-3-carboxamide
CID 113282505
5-tert-butyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 106900631
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide
CID 114220437
3-[[(5-tert-butyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid
CID 81065401
N-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide
CID 107973093
(5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102963839

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1H-1,2,4-triazole-3-carboxamide (CID 113476032) is 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1H-1,2,4-triazole-3-carboxamide is CN(C(=O)c1n[nH]c(C(C)(C)C)n1)C(C)(C)CO.
What is the InChIKey of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is OHHNIMJBWFAUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-11(2,3)10-13-8(14-15-10)9(18)16(6)12(4,5)7-17/h17H,7H2,1-6H3,(H,13,14,15).
What are the key properties of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1H-1,2,4-triazole-3-carboxamide?
5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 113476032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).