2-[5-(1H-1,2,4-triazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C6H8N6O — CID 82668695

IUPAC2-[5-(1H-1,2,4-triazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(-c2ncn[nH]2)o1
InChIInChI=1S/C6H8N6O/c7-2-1-4-10-12-6(13-4)5-8-3-9-11-5/h3H,1-2,7H2,(H,8,9,11)
InChIKeyNLZCIFFHYNLOJJ-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.64
Rot. Bonds3

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

2-[5-(1H-1,2,4-triazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 82668695) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-[5-(1H-1,2,4-triazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1H-1,2,4-triazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID82668695
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name2-[5-(1H-1,2,4-triazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(-c2ncn[nH]2)o1
InChIInChI=1S/C6H8N6O/c7-2-1-4-10-12-6(13-4)5-8-3-9-11-5/h3H,1-2,7H2,(H,8,9,11)
InChIKeyNLZCIFFHYNLOJJ-UHFFFAOYSA-N
XLogP-0.64
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82670303
2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071809
2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65100446
2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069885
2-[4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 43665718
6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82483370
2-[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 79083781
2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62071982
2-[5-(2,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 114375433
2-[5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069536
2-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 80746041
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30865201

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-1,2,4-triazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(1H-1,2,4-triazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 82668695) is 2-[5-(1H-1,2,4-triazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(1H-1,2,4-triazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(1H-1,2,4-triazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine is NCCc1nnc(-c2ncn[nH]2)o1.
What is the InChIKey of 2-[5-(1H-1,2,4-triazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is NLZCIFFHYNLOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O/c7-2-1-4-10-12-6(13-4)5-8-3-9-11-5/h3H,1-2,7H2,(H,8,9,11).
What are the key properties of 2-[5-(1H-1,2,4-triazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(1H-1,2,4-triazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 180.17 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-1,2,4-triazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 82668695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).