3-[5-(hydroxymethyl)triazol-1-yl]propane-1,2-diol

C6H11N3O3 — CID 82210393

IUPAC3-[5-(hydroxymethyl)triazol-1-yl]propane-1,2-diol
SMILESOCc1cnnn1CC(O)CO
InChIInChI=1S/C6H11N3O3/c10-3-5-1-7-8-9(5)2-6(12)4-11/h1,6,10-12H,2-4H2
InChIKeySFDZTAMXUODIDK-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.88
Rot. Bonds4

About 3-[5-(hydroxymethyl)triazol-1-yl]propane-1,2-diol

3-[5-(hydroxymethyl)triazol-1-yl]propane-1,2-diol (PubChem CID 82210393) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-[5-(hydroxymethyl)triazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[5-(hydroxymethyl)triazol-1-yl]propane-1,2-diol
PubChem CID82210393
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name3-[5-(hydroxymethyl)triazol-1-yl]propane-1,2-diol
SMILESOCc1cnnn1CC(O)CO
InChIInChI=1S/C6H11N3O3/c10-3-5-1-7-8-9(5)2-6(12)4-11/h1,6,10-12H,2-4H2
InChIKeySFDZTAMXUODIDK-UHFFFAOYSA-N
XLogP-1.88
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(hydroxymethyl)triazol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[5-(hydroxymethyl)triazol-1-yl]propane-1,2-diol (CID 82210393) is 3-[5-(hydroxymethyl)triazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[5-(hydroxymethyl)triazol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[5-(hydroxymethyl)triazol-1-yl]propane-1,2-diol is OCc1cnnn1CC(O)CO.
What is the InChIKey of 3-[5-(hydroxymethyl)triazol-1-yl]propane-1,2-diol?
The InChIKey is SFDZTAMXUODIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c10-3-5-1-7-8-9(5)2-6(12)4-11/h1,6,10-12H,2-4H2.
What are the key properties of 3-[5-(hydroxymethyl)triazol-1-yl]propane-1,2-diol?
3-[5-(hydroxymethyl)triazol-1-yl]propane-1,2-diol has a molecular weight of 173.17 g/mol, XLogP of -1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(hydroxymethyl)triazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 82210393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).