3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine

C6H7N5O — CID 71756431

IUPAC3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine
SMILESCn1ccnc1-c1noc(N)n1
InChIInChI=1S/C6H7N5O/c1-11-3-2-8-5(11)4-9-6(7)12-10-4/h2-3H,1H3,(H2,7,9,10)
InChIKeyLVHFWYIOLUMXSI-UHFFFAOYSA-N
MW165.16 g/mol
LogP0.05
Rot. Bonds1

About 3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine

3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 71756431) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine
PubChem CID71756431
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine
SMILESCn1ccnc1-c1noc(N)n1
InChIInChI=1S/C6H7N5O/c1-11-3-2-8-5(11)4-9-6(7)12-10-4/h2-3H,1H3,(H2,7,9,10)
InChIKeyLVHFWYIOLUMXSI-UHFFFAOYSA-N
XLogP0.05
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine (CID 71756431) is 3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine is Cn1ccnc1-c1noc(N)n1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is LVHFWYIOLUMXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-11-3-2-8-5(11)4-9-6(7)12-10-4/h2-3H,1H3,(H2,7,9,10).
What are the key properties of 3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine?
3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 165.16 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 71756431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).