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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Related Compounds

1-[4-[2-[4-(3-chloro-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-3-[5-(hydroxymethyl)triazol-1-yl]propan-2-ol
CID 121483783
[3-(3-fluoropropyl)triazol-4-yl]methanol
CID 130566339
[3-(2-methoxyethyl)triazol-4-yl]methanol
CID 112757669
(3-methyltriazol-4-yl)methanol
CID 12654348
1-[5-(hydroxymethyl)triazol-1-yl]-4,4-dimethylpentan-3-one
CID 177087440
[3-(1,2-thiazol-5-ylmethyl)triazol-4-yl]methanol
CID 164652926
[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol
CID 82203683
3-[4-(hydroxymethyl)-5-propan-2-yltriazol-1-yl]propane-1,2-diol
CID 82210232
3-(5-aminopyrazol-1-yl)propane-1,2-diol
CID 54224935
3-(3-benzyltriazol-4-yl)propan-1-ol
CID 178053444
3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol
CID 82210264
3-(3-propyltriazol-4-yl)propan-1-ol
CID 114690518

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).