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

C7H10N6O — CID 106659902

IUPAC3-methyl-N-[2-(triazol-1-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCCn2ccnn2)n1
InChIInChI=1S/C7H10N6O/c1-6-10-7(14-11-6)8-2-4-13-5-3-9-12-13/h3,5H,2,4H2,1H3,(H,8,10,11)
InChIKeyCRAYTRLHHIRYCO-UHFFFAOYSA-N
MW194.20 g/mol
LogP0.08
Rot. Bonds4

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

3-methyl-N-[2-(triazol-1-yl)ethyl]-1,2,4-oxadiazol-5-amine (PubChem CID 106659902) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 3-methyl-N-[2-(triazol-1-yl)ethyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(triazol-1-yl)ethyl]-1,2,4-oxadiazol-5-amine
PubChem CID106659902
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name3-methyl-N-[2-(triazol-1-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCCn2ccnn2)n1
InChIInChI=1S/C7H10N6O/c1-6-10-7(14-11-6)8-2-4-13-5-3-9-12-13/h3,5H,2,4H2,1H3,(H,8,10,11)
InChIKeyCRAYTRLHHIRYCO-UHFFFAOYSA-N
XLogP0.08
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-imidazol-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 75505973
N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)imidazol-2-yl]methanamine
CID 62222492
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62222505
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 62222506
3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-amine
CID 71756431
1-[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine
CID 79542978
N-methyl-3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine
CID 81681846
N-ethyl-3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine
CID 81681954
3-(1-methylimidazol-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 81681955
3-(1-methylimidazol-2-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 81682070
N-cyclopropyl-3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-amine
CID 81682071
3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 81682176

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(triazol-1-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-[2-(triazol-1-yl)ethyl]-1,2,4-oxadiazol-5-amine (CID 106659902) is 3-methyl-N-[2-(triazol-1-yl)ethyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[2-(triazol-1-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[2-(triazol-1-yl)ethyl]-1,2,4-oxadiazol-5-amine is Cc1noc(NCCn2ccnn2)n1.
What is the InChIKey of 3-methyl-N-[2-(triazol-1-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is CRAYTRLHHIRYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-6-10-7(14-11-6)8-2-4-13-5-3-9-12-13/h3,5H,2,4H2,1H3,(H,8,10,11).
What are the key properties of 3-methyl-N-[2-(triazol-1-yl)ethyl]-1,2,4-oxadiazol-5-amine?
3-methyl-N-[2-(triazol-1-yl)ethyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 194.20 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(triazol-1-yl)ethyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106659902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).