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

C10H18N6O2 — CID 106274649

IUPAC3-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H18N6O2/c1-10(2,8(18)12-3)5-13-7(17)4-16-6-14-9(11)15-16/h6H,4-5H2,1-3H3,(H2,11,15)(H,12,18)(H,13,17)
InChIKeyQGHIXFDLHWGDTM-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.25
Rot. Bonds5

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

3-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106274649) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N,2,2-trimethylpropanamide
PubChem CID106274649
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name3-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H18N6O2/c1-10(2,8(18)12-3)5-13-7(17)4-16-6-14-9(11)15-16/h6H,4-5H2,1-3H3,(H2,11,15)(H,12,18)(H,13,17)
InChIKeyQGHIXFDLHWGDTM-UHFFFAOYSA-N
XLogP-1.25
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide
CID 106276726
2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide
CID 113293105
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-(2,3-dihydroxypropyl)acetamide
CID 66177776
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-(trifluoromethylsulfanyl)ethyl]acetamide
CID 106425302
2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide
CID 63821463
2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82741688
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-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63280307
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106276823
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106324469

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N,2,2-trimethylpropanamide (CID 106274649) is 3-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(=O)Cn1cnc(N)n1.
What is the InChIKey of 3-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is QGHIXFDLHWGDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-10(2,8(18)12-3)5-13-7(17)4-16-6-14-9(11)15-16/h6H,4-5H2,1-3H3,(H2,11,15)(H,12,18)(H,13,17).
What are the key properties of 3-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N,2,2-trimethylpropanamide?
3-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 254.29 g/mol, XLogP of -1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106274649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).