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

C8H12N6O — CID 169138659

IUPAC[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazol-4-yl]methanamine
SMILESCc1nc(CCn2cc(CN)nn2)no1
InChIInChI=1S/C8H12N6O/c1-6-10-8(12-15-6)2-3-14-5-7(4-9)11-13-14/h5H,2-4,9H2,1H3
InChIKeyOBYBXRVPTBOAHN-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.33
Rot. Bonds4

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

[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazol-4-yl]methanamine (PubChem CID 169138659) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is [1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazol-4-yl]methanamine
PubChem CID169138659
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazol-4-yl]methanamine
SMILESCc1nc(CCn2cc(CN)nn2)no1
InChIInChI=1S/C8H12N6O/c1-6-10-8(12-15-6)2-3-14-5-7(4-9)11-13-14/h5H,2-4,9H2,1H3
InChIKeyOBYBXRVPTBOAHN-UHFFFAOYSA-N
XLogP-0.33
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazol-4-yl]methanamine (CID 169138659) is [1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazol-4-yl]methanamine is Cc1nc(CCn2cc(CN)nn2)no1.
What is the InChIKey of [1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazol-4-yl]methanamine?
The InChIKey is OBYBXRVPTBOAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-6-10-8(12-15-6)2-3-14-5-7(4-9)11-13-14/h5H,2-4,9H2,1H3.
What are the key properties of [1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazol-4-yl]methanamine?
[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazol-4-yl]methanamine has a molecular weight of 208.22 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 169138659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).