(1-hydroxytriazol-4-yl)methanol

C3H5N3O2 — CID 123422424

IUPAC(1-hydroxytriazol-4-yl)methanol
SMILESOCc1cn(O)nn1
InChIInChI=1S/C3H5N3O2/c7-2-3-1-6(8)5-4-3/h1,7-8H,2H2
InChIKeyRFKJFCPBBWOPHW-UHFFFAOYSA-N
MW115.09 g/mol
LogP-0.99
Rot. Bonds1

About (1-hydroxytriazol-4-yl)methanol

(1-hydroxytriazol-4-yl)methanol (PubChem CID 123422424) has the molecular formula C3H5N3O2 and a molecular weight of 115.09 g/mol. Its IUPAC name is (1-hydroxytriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-hydroxytriazol-4-yl)methanol
PubChem CID123422424
Molecular FormulaC3H5N3O2
Molecular Weight115.09 g/mol
Exact Mass115.04
IUPAC Name(1-hydroxytriazol-4-yl)methanol
SMILESOCc1cn(O)nn1
InChIInChI=1S/C3H5N3O2/c7-2-3-1-6(8)5-4-3/h1,7-8H,2H2
InChIKeyRFKJFCPBBWOPHW-UHFFFAOYSA-N
XLogP-0.99
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-butyl-1-hydroxytriazole
CID 70078176
(1-methyltriazol-4-yl)methanol;tungsten
CID 163298775
(1-prop-2-enyltriazol-4-yl)methanol
CID 82204783
[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride
CID 86262352
[1-(azetidin-3-yl)triazol-4-yl]methanol
CID 75485535
[1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol
CID 62399765
[1-(thietan-3-yl)triazol-4-yl]methanol
CID 129452279
[1-(pyridin-4-ylmethyl)triazol-4-yl]methanol
CID 62402022
[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol
CID 78357904
[4-(hydroxymethyl)triazol-1-yl] propanoate
CID 174499685
[1-(thiadiazol-4-ylmethyl)triazol-4-yl]methanol
CID 130549819
(1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride
CID 86262656

Frequently Asked Questions

What is the IUPAC name of (1-hydroxytriazol-4-yl)methanol?
The IUPAC name of (1-hydroxytriazol-4-yl)methanol (CID 123422424) is (1-hydroxytriazol-4-yl)methanol.
What is the SMILES notation for (1-hydroxytriazol-4-yl)methanol?
The canonical SMILES for (1-hydroxytriazol-4-yl)methanol is OCc1cn(O)nn1.
What is the InChIKey of (1-hydroxytriazol-4-yl)methanol?
The InChIKey is RFKJFCPBBWOPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2/c7-2-3-1-6(8)5-4-3/h1,7-8H,2H2.
What are the key properties of (1-hydroxytriazol-4-yl)methanol?
(1-hydroxytriazol-4-yl)methanol has a molecular weight of 115.09 g/mol, XLogP of -0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxytriazol-4-yl)methanol is sourced from PubChem (CID 123422424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).