3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

C6H7N7O2 — CID 106397180

IUPAC3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCc2ncon2)n1
InChIInChI=1S/C6H7N7O2/c7-6-10-4(11-12-6)5(14)8-1-3-9-2-15-13-3/h2H,1H2,(H,8,14)(H3,7,10,11,12)
InChIKeyIWUPJSSYWXPHKF-UHFFFAOYSA-N
MW209.17 g/mol
LogP-1.30
Rot. Bonds3

About 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 106397180) has the molecular formula C6H7N7O2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID106397180
Molecular FormulaC6H7N7O2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCc2ncon2)n1
InChIInChI=1S/C6H7N7O2/c7-6-10-4(11-12-6)5(14)8-1-3-9-2-15-13-3/h2H,1H2,(H,8,14)(H3,7,10,11,12)
InChIKeyIWUPJSSYWXPHKF-UHFFFAOYSA-N
XLogP-1.30
TPSA135.61 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 ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (CID 106397180) is 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)NCc2ncon2)n1.
What is the InChIKey of 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is IWUPJSSYWXPHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N7O2/c7-6-10-4(11-12-6)5(14)8-1-3-9-2-15-13-3/h2H,1H2,(H,8,14)(H3,7,10,11,12).
What are the key properties of 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 209.17 g/mol, XLogP of -1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 106397180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).