2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide

C10H18N6O2 — CID 113293105

IUPAC2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H18N6O2/c1-10(2,3)14-7(17)4-12-8(18)5-16-6-13-9(11)15-16/h6H,4-5H2,1-3H3,(H2,11,15)(H,12,18)(H,14,17)
InChIKeyBWXQXTSYIIEYLR-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.11
Rot. Bonds4

About 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide

2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide (PubChem CID 113293105) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide
PubChem CID113293105
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H18N6O2/c1-10(2,3)14-7(17)4-12-8(18)5-16-6-13-9(11)15-16/h6H,4-5H2,1-3H3,(H2,11,15)(H,12,18)(H,14,17)
InChIKeyBWXQXTSYIIEYLR-UHFFFAOYSA-N
XLogP-1.11
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106274649
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83107218
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide
CID 61016737
2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide
CID 66177776
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 106242189
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
CID 106425302
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide
CID 114136466
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 54901711
2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63280307
2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107162871
2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methoxycyclobutyl)methyl]acetamide
CID 114118529
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61241529

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide (CID 113293105) is 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide?
The InChIKey is BWXQXTSYIIEYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-10(2,3)14-7(17)4-12-8(18)5-16-6-13-9(11)15-16/h6H,4-5H2,1-3H3,(H2,11,15)(H,12,18)(H,14,17).
What are the key properties of 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide?
2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide has a molecular weight of 254.29 g/mol, XLogP of -1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide is sourced from PubChem (CID 113293105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).