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

C8H12N6O — CID 43102003

IUPAC2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(C)C(N)c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C8H12N6O/c1-4(2)5(9)8-12-7(14-15-8)6-10-3-11-13-6/h3-5H,9H2,1-2H3,(H,10,11,13)
InChIKeySZOWEFTYJJMKOA-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.51
Rot. Bonds3

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

2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 43102003) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID43102003
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(C)C(N)c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C8H12N6O/c1-4(2)5(9)8-12-7(14-15-8)6-10-3-11-13-6/h3-5H,9H2,1-2H3,(H,10,11,13)
InChIKeySZOWEFTYJJMKOA-UHFFFAOYSA-N
XLogP0.51
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 43102003) is 2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC(C)C(N)c1nc(-c2ncn[nH]2)no1.
What is the InChIKey of 2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is SZOWEFTYJJMKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-4(2)5(9)8-12-7(14-15-8)6-10-3-11-13-6/h3-5H,9H2,1-2H3,(H,10,11,13).
What are the key properties of 2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 208.22 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 43102003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).