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

C6H10N6O2 — CID 61016822

IUPAC2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C6H10N6O2/c7-4(13)1-9-5(14)2-12-3-10-6(8)11-12/h3H,1-2H2,(H2,7,13)(H2,8,11)(H,9,14)
InChIKeyJHCYHKCAZMCYLX-UHFFFAOYSA-N
MW198.19 g/mol
LogP-2.54
Rot. Bonds4

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

2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]acetamide (PubChem CID 61016822) has the molecular formula C6H10N6O2 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]acetamide
PubChem CID61016822
Molecular FormulaC6H10N6O2
Molecular Weight198.19 g/mol
Exact Mass198.09
IUPAC Name2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C6H10N6O2/c7-4(13)1-9-5(14)2-12-3-10-6(8)11-12/h3H,1-2H2,(H2,7,13)(H2,8,11)(H,9,14)
InChIKeyJHCYHKCAZMCYLX-UHFFFAOYSA-N
XLogP-2.54
TPSA128.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 5-2.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-Nitro-[1,2,4]triazol-1-yl)-N-propyl-acetamide
CID 3104817
N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 3104818
2-{[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino}ethyl nitrate
CID 3644089
N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 42947749
N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
CID 47839833
2-(3-amino-1H-1,2,4-triazol-1-yl)-N-methylacetamide
CID 54595598
N-isopropyl-2-{[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]amino}acetamide
CID 56714239
2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 53504985
2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 55006974
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 55261639
2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60718244
2-(3-amino-1H-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 61015785

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]acetamide?
The IUPAC name of 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]acetamide (CID 61016822) is 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]acetamide is NC(=O)CNC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]acetamide?
The InChIKey is JHCYHKCAZMCYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O2/c7-4(13)1-9-5(14)2-12-3-10-6(8)11-12/h3H,1-2H2,(H2,7,13)(H2,8,11)(H,9,14).
What are the key properties of 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]acetamide?
2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]acetamide has a molecular weight of 198.19 g/mol, XLogP of -2.54, 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]acetamide is sourced from PubChem (CID 61016822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).