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

C10H16N6O3 — CID 1384051

IUPAC2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1nnn(-c2nonc2N)c1C(C)(C)O
InChIInChI=1S/C10H16N6O3/c1-9(2,17)5-6(10(3,4)18)16(15-12-5)8-7(11)13-19-14-8/h17-18H,1-4H3,(H2,11,13)
InChIKeyQDMPWBKKMIUHSM-UHFFFAOYSA-N
MW268.28 g/mol
LogP-0.31
Rot. Bonds3

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

2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol (PubChem CID 1384051) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol
PubChem CID1384051
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1nnn(-c2nonc2N)c1C(C)(C)O
InChIInChI=1S/C10H16N6O3/c1-9(2,17)5-6(10(3,4)18)16(15-12-5)8-7(11)13-19-14-8/h17-18H,1-4H3,(H2,11,13)
InChIKeyQDMPWBKKMIUHSM-UHFFFAOYSA-N
XLogP-0.31
TPSA136.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol (CID 1384051) is 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol is CC(C)(O)c1nnn(-c2nonc2N)c1C(C)(C)O.
What is the InChIKey of 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol?
The InChIKey is QDMPWBKKMIUHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c1-9(2,17)5-6(10(3,4)18)16(15-12-5)8-7(11)13-19-14-8/h17-18H,1-4H3,(H2,11,13).
What are the key properties of 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol?
2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol has a molecular weight of 268.28 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol is sourced from PubChem (CID 1384051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).