4-(1-methyltriazol-4-yl)oxan-4-ol

C8H13N3O2 — CID 130602175

IUPAC4-(1-methyltriazol-4-yl)oxan-4-ol
SMILESCn1cc(C2(O)CCOCC2)nn1
InChIInChI=1S/C8H13N3O2/c1-11-6-7(9-10-11)8(12)2-4-13-5-3-8/h6,12H,2-5H2,1H3
InChIKeyREKZQTSCGFBWTP-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.19
Rot. Bonds1

About 4-(1-methyltriazol-4-yl)oxan-4-ol

4-(1-methyltriazol-4-yl)oxan-4-ol (PubChem CID 130602175) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(1-methyltriazol-4-yl)oxan-4-ol.

Molecular Properties

Compound Name4-(1-methyltriazol-4-yl)oxan-4-ol
PubChem CID130602175
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-(1-methyltriazol-4-yl)oxan-4-ol
SMILESCn1cc(C2(O)CCOCC2)nn1
InChIInChI=1S/C8H13N3O2/c1-11-6-7(9-10-11)8(12)2-4-13-5-3-8/h6,12H,2-5H2,1H3
InChIKeyREKZQTSCGFBWTP-UHFFFAOYSA-N
XLogP-0.19
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyltriazol-4-yl)oxan-4-ol?
The IUPAC name of 4-(1-methyltriazol-4-yl)oxan-4-ol (CID 130602175) is 4-(1-methyltriazol-4-yl)oxan-4-ol.
What is the SMILES notation for 4-(1-methyltriazol-4-yl)oxan-4-ol?
The canonical SMILES for 4-(1-methyltriazol-4-yl)oxan-4-ol is Cn1cc(C2(O)CCOCC2)nn1.
What is the InChIKey of 4-(1-methyltriazol-4-yl)oxan-4-ol?
The InChIKey is REKZQTSCGFBWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-11-6-7(9-10-11)8(12)2-4-13-5-3-8/h6,12H,2-5H2,1H3.
What are the key properties of 4-(1-methyltriazol-4-yl)oxan-4-ol?
4-(1-methyltriazol-4-yl)oxan-4-ol has a molecular weight of 183.21 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltriazol-4-yl)oxan-4-ol is sourced from PubChem (CID 130602175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).