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

C7H9N7O2 — CID 107435974

IUPAC2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
SMILESNC(=O)CNCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C7H9N7O2/c8-4(15)1-9-2-5-12-7(14-16-5)6-10-3-11-13-6/h3,9H,1-2H2,(H2,8,15)(H,10,11,13)
InChIKeyBEGWVZFGWDUKPD-UHFFFAOYSA-N
MW223.20 g/mol
LogP-1.57
Rot. Bonds5

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

2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide (PubChem CID 107435974) has the molecular formula C7H9N7O2 and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide.

Molecular Properties

Compound Name2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
PubChem CID107435974
Molecular FormulaC7H9N7O2
Molecular Weight223.20 g/mol
Exact Mass223.08
IUPAC Name2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
SMILESNC(=O)CNCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C7H9N7O2/c8-4(15)1-9-2-5-12-7(14-16-5)6-10-3-11-13-6/h3,9H,1-2H2,(H2,8,15)(H,10,11,13)
InChIKeyBEGWVZFGWDUKPD-UHFFFAOYSA-N
XLogP-1.57
TPSA135.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The IUPAC name of 2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide (CID 107435974) is 2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide.
What is the SMILES notation for 2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The canonical SMILES for 2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide is NC(=O)CNCc1nc(-c2ncn[nH]2)no1.
What is the InChIKey of 2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The InChIKey is BEGWVZFGWDUKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7O2/c8-4(15)1-9-2-5-12-7(14-16-5)6-10-3-11-13-6/h3,9H,1-2H2,(H2,8,15)(H,10,11,13).
What are the key properties of 2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide has a molecular weight of 223.20 g/mol, XLogP of -1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide is sourced from PubChem (CID 107435974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).