[3-[(2-aminoimidazol-1-yl)methyl]oxetan-3-yl]methanol

C8H13N3O2 — CID 165482251

IUPAC[3-[(2-aminoimidazol-1-yl)methyl]oxetan-3-yl]methanol
SMILESNc1nccn1CC1(CO)COC1
InChIInChI=1S/C8H13N3O2/c9-7-10-1-2-11(7)3-8(4-12)5-13-6-8/h1-2,12H,3-6H2,(H2,9,10)
InChIKeyMYVWCOLWJNOIBQ-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.53
Rot. Bonds3

About [3-[(2-aminoimidazol-1-yl)methyl]oxetan-3-yl]methanol

[3-[(2-aminoimidazol-1-yl)methyl]oxetan-3-yl]methanol (PubChem CID 165482251) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is [3-[(2-aminoimidazol-1-yl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-aminoimidazol-1-yl)methyl]oxetan-3-yl]methanol
PubChem CID165482251
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name[3-[(2-aminoimidazol-1-yl)methyl]oxetan-3-yl]methanol
SMILESNc1nccn1CC1(CO)COC1
InChIInChI=1S/C8H13N3O2/c9-7-10-1-2-11(7)3-8(4-12)5-13-6-8/h1-2,12H,3-6H2,(H2,9,10)
InChIKeyMYVWCOLWJNOIBQ-UHFFFAOYSA-N
XLogP-0.53
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-aminoimidazol-1-yl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(2-aminoimidazol-1-yl)methyl]oxetan-3-yl]methanol (CID 165482251) is [3-[(2-aminoimidazol-1-yl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(2-aminoimidazol-1-yl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(2-aminoimidazol-1-yl)methyl]oxetan-3-yl]methanol is Nc1nccn1CC1(CO)COC1.
What is the InChIKey of [3-[(2-aminoimidazol-1-yl)methyl]oxetan-3-yl]methanol?
The InChIKey is MYVWCOLWJNOIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-7-10-1-2-11(7)3-8(4-12)5-13-6-8/h1-2,12H,3-6H2,(H2,9,10).
What are the key properties of [3-[(2-aminoimidazol-1-yl)methyl]oxetan-3-yl]methanol?
[3-[(2-aminoimidazol-1-yl)methyl]oxetan-3-yl]methanol has a molecular weight of 183.21 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-aminoimidazol-1-yl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 165482251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).