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

C13H25N5O — CID 103399299

IUPACN-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide
SMILESCC(C)(C)NC(=O)CNCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C13H25N5O/c1-12(2,3)15-11(19)8-14-7-10-9-18(17-16-10)13(4,5)6/h9,14H,7-8H2,1-6H3,(H,15,19)
InChIKeyCESMSOLQFVRLRF-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.04
Rot. Bonds4

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

N-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide (PubChem CID 103399299) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide
PubChem CID103399299
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide
SMILESCC(C)(C)NC(=O)CNCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C13H25N5O/c1-12(2,3)15-11(19)8-14-7-10-9-18(17-16-10)13(4,5)6/h9,14H,7-8H2,1-6H3,(H,15,19)
InChIKeyCESMSOLQFVRLRF-UHFFFAOYSA-N
XLogP1.04
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide
CID 103398707
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]hydroxylamine
CID 103399314
N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 67952412
1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol
CID 103399417
3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide
CID 103399373
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
3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol
CID 103399191
3-[(1-tert-butyltriazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103527457
3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 103399375

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide (CID 103399299) is N-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide is CC(C)(C)NC(=O)CNCc1cn(C(C)(C)C)nn1.
What is the InChIKey of N-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide?
The InChIKey is CESMSOLQFVRLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-12(2,3)15-11(19)8-14-7-10-9-18(17-16-10)13(4,5)6/h9,14H,7-8H2,1-6H3,(H,15,19).
What are the key properties of N-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide?
N-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide has a molecular weight of 267.38 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 103399299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).