N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide

C12H22N4O — CID 67952412

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C12H22N4O/c1-11(2,3)10(17)13-7-9-8-16(15-14-9)12(4,5)6/h8H,7H2,1-6H3,(H,13,17)
InChIKeyNUVWSBDFWWISLQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.70
Rot. Bonds2

About N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide

N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 67952412) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide
PubChem CID67952412
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C12H22N4O/c1-11(2,3)10(17)13-7-9-8-16(15-14-9)12(4,5)6/h8H,7H2,1-6H3,(H,13,17)
InChIKeyNUVWSBDFWWISLQ-UHFFFAOYSA-N
XLogP1.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-tert-butyltriazol-4-yl)methyl]-2-chloroacetamide
CID 166418934
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine
CID 161032604
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide
CID 103398707
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide
CID 103399299
2,2-dimethyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide
CID 126851390
tert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate
CID 103399286
tert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103527141
methyl 3-[(1-tert-butyltriazol-4-yl)methylamino]butanoate
CID 114283686
3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide
CID 103399373
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295384

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide (CID 67952412) is N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1cn(C(C)(C)C)nn1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is NUVWSBDFWWISLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-11(2,3)10(17)13-7-9-8-16(15-14-9)12(4,5)6/h8H,7H2,1-6H3,(H,13,17).
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide?
N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 67952412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).