4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide

C6H7N7O — CID 140518106

IUPAC4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide
SMILES[H]/N=C(\N)c1nonc1Cn1cncn1
InChIInChI=1S/C6H7N7O/c7-6(8)5-4(11-14-12-5)1-13-3-9-2-10-13/h2-3H,1H2,(H3,7,8)
InChIKeyKEYZFRBFCGLHRB-UHFFFAOYSA-N
MW193.17 g/mol
LogP-1.01
Rot. Bonds3

About 4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide

4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 140518106) has the molecular formula C6H7N7O and a molecular weight of 193.17 g/mol. Its IUPAC name is 4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide
PubChem CID140518106
Molecular FormulaC6H7N7O
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide
SMILES[H]/N=C(\N)c1nonc1Cn1cncn1
InChIInChI=1S/C6H7N7O/c7-6(8)5-4(11-14-12-5)1-13-3-9-2-10-13/h2-3H,1H2,(H3,7,8)
InChIKeyKEYZFRBFCGLHRB-UHFFFAOYSA-N
XLogP-1.01
TPSA119.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide (CID 140518106) is 4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide is [H]/N=C(\N)c1nonc1Cn1cncn1.
What is the InChIKey of 4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is KEYZFRBFCGLHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N7O/c7-6(8)5-4(11-14-12-5)1-13-3-9-2-10-13/h2-3H,1H2,(H3,7,8).
What are the key properties of 4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide?
4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 193.17 g/mol, XLogP of -1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 140518106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).