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

C7H10N6O2 — CID 1266388

IUPAC2-[1-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2nonc2N)nn1
InChIInChI=1S/C7H10N6O2/c1-7(2,14)4-3-13(12-9-4)6-5(8)10-15-11-6/h3,14H,1-2H3,(H2,8,10)
InChIKeyCXZZGGPNAGYJHU-UHFFFAOYSA-N
MW210.20 g/mol
LogP-0.54
Rot. Bonds2

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

2-[1-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]propan-2-ol (PubChem CID 1266388) has the molecular formula C7H10N6O2 and a molecular weight of 210.20 g/mol. Its IUPAC name is 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]propan-2-ol
PubChem CID1266388
Molecular FormulaC7H10N6O2
Molecular Weight210.20 g/mol
Exact Mass210.09
IUPAC Name2-[1-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2nonc2N)nn1
InChIInChI=1S/C7H10N6O2/c1-7(2,14)4-3-13(12-9-4)6-5(8)10-15-11-6/h3,14H,1-2H3,(H2,8,10)
InChIKeyCXZZGGPNAGYJHU-UHFFFAOYSA-N
XLogP-0.54
TPSA115.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]propan-2-ol (CID 1266388) is 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2nonc2N)nn1.
What is the InChIKey of 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]propan-2-ol?
The InChIKey is CXZZGGPNAGYJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2/c1-7(2,14)4-3-13(12-9-4)6-5(8)10-15-11-6/h3,14H,1-2H3,(H2,8,10).
What are the key properties of 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]propan-2-ol?
2-[1-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]propan-2-ol has a molecular weight of 210.20 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]propan-2-ol is sourced from PubChem (CID 1266388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).