1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)triazole-4-carboxamide

C7H9N7O3 — CID 1201476

IUPAC1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)triazole-4-carboxamide
SMILESCOCc1c(C(N)=O)nnn1-c1nonc1N
InChIInChI=1S/C7H9N7O3/c1-16-2-3-4(6(9)15)10-13-14(3)7-5(8)11-17-12-7/h2H2,1H3,(H2,8,11)(H2,9,15)
InChIKeyODCBHLLZWBEKPP-UHFFFAOYSA-N
MW239.19 g/mol
LogP-1.52
Rot. Bonds4

About 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)triazole-4-carboxamide

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)triazole-4-carboxamide (PubChem CID 1201476) has the molecular formula C7H9N7O3 and a molecular weight of 239.19 g/mol. Its IUPAC name is 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)triazole-4-carboxamide
PubChem CID1201476
Molecular FormulaC7H9N7O3
Molecular Weight239.19 g/mol
Exact Mass239.08
IUPAC Name1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)triazole-4-carboxamide
SMILESCOCc1c(C(N)=O)nnn1-c1nonc1N
InChIInChI=1S/C7H9N7O3/c1-16-2-3-4(6(9)15)10-13-14(3)7-5(8)11-17-12-7/h2H2,1H3,(H2,8,11)(H2,9,15)
InChIKeyODCBHLLZWBEKPP-UHFFFAOYSA-N
XLogP-1.52
TPSA147.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)triazole-4-carboxamide (CID 1201476) is 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)triazole-4-carboxamide is COCc1c(C(N)=O)nnn1-c1nonc1N.
What is the InChIKey of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)triazole-4-carboxamide?
The InChIKey is ODCBHLLZWBEKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7O3/c1-16-2-3-4(6(9)15)10-13-14(3)7-5(8)11-17-12-7/h2H2,1H3,(H2,8,11)(H2,9,15).
What are the key properties of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)triazole-4-carboxamide?
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)triazole-4-carboxamide has a molecular weight of 239.19 g/mol, XLogP of -1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)triazole-4-carboxamide is sourced from PubChem (CID 1201476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).