2-amino-N-ethyl-N-(1H-1,2,4-triazol-5-yl)acetamide

C6H11N5O — CID 69033666

IUPAC2-amino-N-ethyl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCCN(C(=O)CN)c1ncn[nH]1
InChIInChI=1S/C6H11N5O/c1-2-11(5(12)3-7)6-8-4-9-10-6/h4H,2-3,7H2,1H3,(H,8,9,10)
InChIKeyVAIUPWYWLUNEIL-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.88
Rot. Bonds3

About 2-amino-N-ethyl-N-(1H-1,2,4-triazol-5-yl)acetamide

2-amino-N-ethyl-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 69033666) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID69033666
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2-amino-N-ethyl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCCN(C(=O)CN)c1ncn[nH]1
InChIInChI=1S/C6H11N5O/c1-2-11(5(12)3-7)6-8-4-9-10-6/h4H,2-3,7H2,1H3,(H,8,9,10)
InChIKeyVAIUPWYWLUNEIL-UHFFFAOYSA-N
XLogP-0.88
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Triazolylimidazolidine-2,4-dione
CID 129878288
2,2,2-trifluoro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]acetamide
CID 84432051
2-amino-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
CID 53892337
N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
CID 54210147
N-ethyl-2-(1,2,4-triazol-1-yl)acetamide
CID 60644414
N-ethyl-N-(1H-1,2,4-triazol-5-yl)formamide
CID 91137894
N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 122536332
N-ethyl-2-(1,2,4-triazol-4-yl)acetamide
CID 127011962
N-acetyl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 139664642
1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 141318848
2-amino-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 144456294
2-(tert-butylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 18873853

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-amino-N-ethyl-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 69033666) is 2-amino-N-ethyl-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-amino-N-ethyl-N-(1H-1,2,4-triazol-5-yl)acetamide is CCN(C(=O)CN)c1ncn[nH]1.
What is the InChIKey of 2-amino-N-ethyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is VAIUPWYWLUNEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-2-11(5(12)3-7)6-8-4-9-10-6/h4H,2-3,7H2,1H3,(H,8,9,10).
What are the key properties of 2-amino-N-ethyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-amino-N-ethyl-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 169.19 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 69033666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).