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

C6H7N7O2 — CID 135398174

IUPAC2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]acetamide
SMILESNC(=O)Cc1nc(-c2nonc2N)n[nH]1
InChIInChI=1S/C6H7N7O2/c7-2(14)1-3-9-6(11-10-3)4-5(8)13-15-12-4/h1H2,(H2,7,14)(H2,8,13)(H,9,10,11)
InChIKeyDTSMQFIZXOBKDU-UHFFFAOYSA-N
MW209.17 g/mol
LogP-1.54
Rot. Bonds3

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

2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]acetamide (PubChem CID 135398174) has the molecular formula C6H7N7O2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]acetamide
PubChem CID135398174
Molecular FormulaC6H7N7O2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]acetamide
SMILESNC(=O)Cc1nc(-c2nonc2N)n[nH]1
InChIInChI=1S/C6H7N7O2/c7-2(14)1-3-9-6(11-10-3)4-5(8)13-15-12-4/h1H2,(H2,7,14)(H2,8,13)(H,9,10,11)
InChIKeyDTSMQFIZXOBKDU-UHFFFAOYSA-N
XLogP-1.54
TPSA149.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]acetamide?
The IUPAC name of 2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]acetamide (CID 135398174) is 2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]acetamide.
What is the SMILES notation for 2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]acetamide?
The canonical SMILES for 2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]acetamide is NC(=O)Cc1nc(-c2nonc2N)n[nH]1.
What is the InChIKey of 2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]acetamide?
The InChIKey is DTSMQFIZXOBKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N7O2/c7-2(14)1-3-9-6(11-10-3)4-5(8)13-15-12-4/h1H2,(H2,7,14)(H2,8,13)(H,9,10,11).
What are the key properties of 2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]acetamide?
2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]acetamide has a molecular weight of 209.17 g/mol, XLogP of -1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]acetamide is sourced from PubChem (CID 135398174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).