2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide

C8H16N6O — CID 66276488

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1n[nH]c(N)n1
InChIInChI=1S/C8H16N6O/c1-5(2)3-14(4-6(9)15)8-11-7(10)12-13-8/h5H,3-4H2,1-2H3,(H2,9,15)(H3,10,11,12,13)
InChIKeyZGJMQRMVKQYAPY-UHFFFAOYSA-N
MW212.26 g/mol
LogP-0.67
Rot. Bonds5

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide (PubChem CID 66276488) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide
PubChem CID66276488
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1n[nH]c(N)n1
InChIInChI=1S/C8H16N6O/c1-5(2)3-14(4-6(9)15)8-11-7(10)12-13-8/h5H,3-4H2,1-2H3,(H2,9,15)(H3,10,11,12,13)
InChIKeyZGJMQRMVKQYAPY-UHFFFAOYSA-N
XLogP-0.67
TPSA113.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide (CID 66276488) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)c1n[nH]c(N)n1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide?
The InChIKey is ZGJMQRMVKQYAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O/c1-5(2)3-14(4-6(9)15)8-11-7(10)12-13-8/h5H,3-4H2,1-2H3,(H2,9,15)(H3,10,11,12,13).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide has a molecular weight of 212.26 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 66276488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).