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

C7H9N5O2 — CID 79201269

IUPAC3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESOCCCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C7H9N5O2/c13-3-1-2-5-10-7(12-14-5)6-8-4-9-11-6/h4,13H,1-3H2,(H,8,9,11)
InChIKeyANBJMIYCFYTCNZ-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.22
Rot. Bonds4

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

3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 79201269) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID79201269
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESOCCCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C7H9N5O2/c13-3-1-2-5-10-7(12-14-5)6-8-4-9-11-6/h4,13H,1-3H2,(H,8,9,11)
InChIKeyANBJMIYCFYTCNZ-UHFFFAOYSA-N
XLogP-0.22
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 79201269) is 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol is OCCCc1nc(-c2ncn[nH]2)no1.
What is the InChIKey of 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is ANBJMIYCFYTCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c13-3-1-2-5-10-7(12-14-5)6-8-4-9-11-6/h4,13H,1-3H2,(H,8,9,11).
What are the key properties of 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 195.18 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 79201269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).