1-(1H-imidazol-2-yl)propane-1,2,3-triol

C6H10N2O3 — CID 57094595

IUPAC1-(1H-imidazol-2-yl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1ncc[nH]1
InChIInChI=1S/C6H10N2O3/c9-3-4(10)5(11)6-7-1-2-8-6/h1-2,4-5,9-11H,3H2,(H,7,8)
InChIKeyIVBBRVGDLPIXLJ-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.20
Rot. Bonds3

About 1-(1H-imidazol-2-yl)propane-1,2,3-triol

1-(1H-imidazol-2-yl)propane-1,2,3-triol (PubChem CID 57094595) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)propane-1,2,3-triol
PubChem CID57094595
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name1-(1H-imidazol-2-yl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1ncc[nH]1
InChIInChI=1S/C6H10N2O3/c9-3-4(10)5(11)6-7-1-2-8-6/h1-2,4-5,9-11H,3H2,(H,7,8)
InChIKeyIVBBRVGDLPIXLJ-UHFFFAOYSA-N
XLogP-1.20
TPSA89.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)propane-1,2,3-triol?
The IUPAC name of 1-(1H-imidazol-2-yl)propane-1,2,3-triol (CID 57094595) is 1-(1H-imidazol-2-yl)propane-1,2,3-triol.
What is the SMILES notation for 1-(1H-imidazol-2-yl)propane-1,2,3-triol?
The canonical SMILES for 1-(1H-imidazol-2-yl)propane-1,2,3-triol is OCC(O)C(O)c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)propane-1,2,3-triol?
The InChIKey is IVBBRVGDLPIXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c9-3-4(10)5(11)6-7-1-2-8-6/h1-2,4-5,9-11H,3H2,(H,7,8).
What are the key properties of 1-(1H-imidazol-2-yl)propane-1,2,3-triol?
1-(1H-imidazol-2-yl)propane-1,2,3-triol has a molecular weight of 158.16 g/mol, XLogP of -1.20, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)propane-1,2,3-triol is sourced from PubChem (CID 57094595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).