3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine

C6H7N5O2 — CID 106403164

IUPAC3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2ncon2)n1
InChIInChI=1S/C6H7N5O2/c1-4-9-6(13-10-4)7-2-5-8-3-12-11-5/h3H,2H2,1H3,(H,7,9,10)
InChIKeyVDAVUAPOIAPLJW-UHFFFAOYSA-N
MW181.16 g/mol
LogP0.37
Rot. Bonds3

About 3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine

3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 106403164) has the molecular formula C6H7N5O2 and a molecular weight of 181.16 g/mol. Its IUPAC name is 3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine
PubChem CID106403164
Molecular FormulaC6H7N5O2
Molecular Weight181.16 g/mol
Exact Mass181.06
IUPAC Name3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2ncon2)n1
InChIInChI=1S/C6H7N5O2/c1-4-9-6(13-10-4)7-2-5-8-3-12-11-5/h3H,2H2,1H3,(H,7,9,10)
InChIKeyVDAVUAPOIAPLJW-UHFFFAOYSA-N
XLogP0.37
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106403332
3-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 130854750
3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 106659595
2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine
CID 106393331
4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol
CID 106659974
3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106418985
N-[(5-bromothiophen-3-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115924839
3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 115777298
6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine
CID 106412418
N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777303
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 106411944
3-bromo-4-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2,5-diamine
CID 106393535

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine (CID 106403164) is 3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine is Cc1noc(NCc2ncon2)n1.
What is the InChIKey of 3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is VDAVUAPOIAPLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2/c1-4-9-6(13-10-4)7-2-5-8-3-12-11-5/h3H,2H2,1H3,(H,7,9,10).
What are the key properties of 3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine?
3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 181.16 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106403164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).