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

C7H10N6O2 — CID 28549930

IUPAC(1S,2R)-1-amino-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C7H10N6O2/c1-3(14)4(8)7-11-6(13-15-7)5-9-2-10-12-5/h2-4,14H,8H2,1H3,(H,9,10,12)/t3-,4+/m1/s1
InChIKeyRSMGYHOCMWBPIX-DMTCNVIQSA-N
MW210.20 g/mol
LogP-0.76
Rot. Bonds3

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

(1S,2R)-1-amino-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 28549930) has the molecular formula C7H10N6O2 and a molecular weight of 210.20 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID28549930
Molecular FormulaC7H10N6O2
Molecular Weight210.20 g/mol
Exact Mass210.09
IUPAC Name(1S,2R)-1-amino-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C7H10N6O2/c1-3(14)4(8)7-11-6(13-15-7)5-9-2-10-12-5/h2-4,14H,8H2,1H3,(H,9,10,12)/t3-,4+/m1/s1
InChIKeyRSMGYHOCMWBPIX-DMTCNVIQSA-N
XLogP-0.76
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 28549930) is (1S,2R)-1-amino-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol is C[C@@H](O)[C@H](N)c1nc(-c2ncn[nH]2)no1.
What is the InChIKey of (1S,2R)-1-amino-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is RSMGYHOCMWBPIX-DMTCNVIQSA-N. The full InChI is InChI=1S/C7H10N6O2/c1-3(14)4(8)7-11-6(13-15-7)5-9-2-10-12-5/h2-4,14H,8H2,1H3,(H,9,10,12)/t3-,4+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
(1S,2R)-1-amino-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 210.20 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 28549930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).