2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide

C11H21N5O — CID 103398707

IUPAC2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C11H21N5O/c1-5-13-10(17)7-12-6-9-8-16(15-14-9)11(2,3)4/h8,12H,5-7H2,1-4H3,(H,13,17)
InChIKeyPLVRCVDXACVLQB-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.26
Rot. Bonds5

About 2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide

2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide (PubChem CID 103398707) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide
PubChem CID103398707
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C11H21N5O/c1-5-13-10(17)7-12-6-9-8-16(15-14-9)11(2,3)4/h8,12H,5-7H2,1-4H3,(H,13,17)
InChIKeyPLVRCVDXACVLQB-UHFFFAOYSA-N
XLogP0.26
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide
CID 103399299
tert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate
CID 103399286
N-[(1-tert-butyltriazol-4-yl)methyl]-2-chloroacetamide
CID 166418934
N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 67952412
1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol
CID 103399417
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide
CID 103399373
1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpentan-2-ol
CID 103527240
2-[[(1-tert-butyltriazol-4-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122128001
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103399091
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine
CID 161032604
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide (CID 103398707) is 2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide is CCNC(=O)CNCc1cn(C(C)(C)C)nn1.
What is the InChIKey of 2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide?
The InChIKey is PLVRCVDXACVLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-5-13-10(17)7-12-6-9-8-16(15-14-9)11(2,3)4/h8,12H,5-7H2,1-4H3,(H,13,17).
What are the key properties of 2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide?
2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide has a molecular weight of 239.32 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide is sourced from PubChem (CID 103398707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).