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

C9H9N5O2 — CID 63346839

IUPAC1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESO=C(Cc1nc(-c2ncn[nH]2)no1)C1CC1
InChIInChI=1S/C9H9N5O2/c15-6(5-1-2-5)3-7-12-9(14-16-7)8-10-4-11-13-8/h4-5H,1-3H2,(H,10,11,13)
InChIKeyIIUWWANJAYVZPO-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.38
Rot. Bonds4

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

1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 63346839) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID63346839
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESO=C(Cc1nc(-c2ncn[nH]2)no1)C1CC1
InChIInChI=1S/C9H9N5O2/c15-6(5-1-2-5)3-7-12-9(14-16-7)8-10-4-11-13-8/h4-5H,1-3H2,(H,10,11,13)
InChIKeyIIUWWANJAYVZPO-UHFFFAOYSA-N
XLogP0.38
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanone (CID 63346839) is 1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanone is O=C(Cc1nc(-c2ncn[nH]2)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is IIUWWANJAYVZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c15-6(5-1-2-5)3-7-12-9(14-16-7)8-10-4-11-13-8/h4-5H,1-3H2,(H,10,11,13).
What are the key properties of 1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanone?
1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 219.20 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 63346839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).