[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol

C8H13N3O2 — CID 62400526

IUPAC[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol
SMILESOCc1cn(CC2CCOC2)nn1
InChIInChI=1S/C8H13N3O2/c12-5-8-4-11(10-9-8)3-7-1-2-13-6-7/h4,7,12H,1-3,5-6H2
InChIKeyKRLLKJPGKNCSRO-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.19
Rot. Bonds3

About [1-(oxolan-3-ylmethyl)triazol-4-yl]methanol

[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol (PubChem CID 62400526) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is [1-(oxolan-3-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol
PubChem CID62400526
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol
SMILESOCc1cn(CC2CCOC2)nn1
InChIInChI=1S/C8H13N3O2/c12-5-8-4-11(10-9-8)3-7-1-2-13-6-7/h4,7,12H,1-3,5-6H2
InChIKeyKRLLKJPGKNCSRO-UHFFFAOYSA-N
XLogP-0.19
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-1-[[(3S)-oxolan-3-yl]methyl]triazole
CID 129367875
2-methyl-N-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]butan-2-amine
CID 155896654
N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-1-amine
CID 125456676
2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine
CID 125457580
4-(chloromethyl)-1-(oxan-4-ylmethyl)triazole
CID 62399510
[1-(piperidin-4-ylmethyl)triazol-4-yl]methanol
CID 86262272
4-(bromomethyl)-1-(oxan-4-ylmethyl)triazole
CID 62402137
2-[4-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]cyclopentan-1-ol
CID 167897149
[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol
CID 129368074
3-methoxy-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 125456733
N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66192330
methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate
CID 129412512

Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-3-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(oxolan-3-ylmethyl)triazol-4-yl]methanol (CID 62400526) is [1-(oxolan-3-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(oxolan-3-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(oxolan-3-ylmethyl)triazol-4-yl]methanol is OCc1cn(CC2CCOC2)nn1.
What is the InChIKey of [1-(oxolan-3-ylmethyl)triazol-4-yl]methanol?
The InChIKey is KRLLKJPGKNCSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c12-5-8-4-11(10-9-8)3-7-1-2-13-6-7/h4,7,12H,1-3,5-6H2.
What are the key properties of [1-(oxolan-3-ylmethyl)triazol-4-yl]methanol?
[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol has a molecular weight of 183.21 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-3-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 62400526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).