amino-[1-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazol-3-yl]methanol

C10H18N4O3 — CID 91431531

IUPACamino-[1-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazol-3-yl]methanol
SMILESCC1C(CO)OC(n2cnc(C(N)O)n2)C1C
InChIInChI=1S/C10H18N4O3/c1-5-6(2)10(17-7(5)3-15)14-4-12-9(13-14)8(11)16/h4-8,10,15-16H,3,11H2,1-2H3
InChIKeyXXRJXSVICDWZRU-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.61
Rot. Bonds3

About amino-[1-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazol-3-yl]methanol

amino-[1-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazol-3-yl]methanol (PubChem CID 91431531) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is amino-[1-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Nameamino-[1-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazol-3-yl]methanol
PubChem CID91431531
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Nameamino-[1-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazol-3-yl]methanol
SMILESCC1C(CO)OC(n2cnc(C(N)O)n2)C1C
InChIInChI=1S/C10H18N4O3/c1-5-6(2)10(17-7(5)3-15)14-4-12-9(13-14)8(11)16/h4-8,10,15-16H,3,11H2,1-2H3
InChIKeyXXRJXSVICDWZRU-UHFFFAOYSA-N
XLogP-0.61
TPSA106.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[1-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of amino-[1-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazol-3-yl]methanol (CID 91431531) is amino-[1-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for amino-[1-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for amino-[1-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazol-3-yl]methanol is CC1C(CO)OC(n2cnc(C(N)O)n2)C1C.
What is the InChIKey of amino-[1-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is XXRJXSVICDWZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-5-6(2)10(17-7(5)3-15)14-4-12-9(13-14)8(11)16/h4-8,10,15-16H,3,11H2,1-2H3.
What are the key properties of amino-[1-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazol-3-yl]methanol?
amino-[1-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 242.28 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[1-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 91431531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).