3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-amine

C7H9N5O2 — CID 106659594

IUPAC3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(CNc2nc(C)no2)n1
InChIInChI=1S/C7H9N5O2/c1-4-9-6(13-11-4)3-8-7-10-5(2)12-14-7/h3H2,1-2H3,(H,8,10,12)
InChIKeyBTQONUNHDKVLHA-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.68
Rot. Bonds3

About 3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-amine

3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 106659594) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID106659594
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(CNc2nc(C)no2)n1
InChIInChI=1S/C7H9N5O2/c1-4-9-6(13-11-4)3-8-7-10-5(2)12-14-7/h3H2,1-2H3,(H,8,10,12)
InChIKeyBTQONUNHDKVLHA-UHFFFAOYSA-N
XLogP0.68
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-amine (CID 106659594) is 3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-amine is Cc1noc(CNc2nc(C)no2)n1.
What is the InChIKey of 3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is BTQONUNHDKVLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-4-9-6(13-11-4)3-8-7-10-5(2)12-14-7/h3H2,1-2H3,(H,8,10,12).
What are the key properties of 3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-amine?
3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 195.18 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106659594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).