1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol

C8H13N3O3 — CID 130530429

IUPAC1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol
SMILESCn1ncnc1C(O)C1COCCO1
InChIInChI=1S/C8H13N3O3/c1-11-8(9-5-10-11)7(12)6-4-13-2-3-14-6/h5-7,12H,2-4H2,1H3
InChIKeyOWDMLPZKDRKCBS-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.74
Rot. Bonds2

About 1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol

1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol (PubChem CID 130530429) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol
PubChem CID130530429
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol
SMILESCn1ncnc1C(O)C1COCCO1
InChIInChI=1S/C8H13N3O3/c1-11-8(9-5-10-11)7(12)6-4-13-2-3-14-6/h5-7,12H,2-4H2,1H3
InChIKeyOWDMLPZKDRKCBS-UHFFFAOYSA-N
XLogP-0.74
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol
CID 115839299
(5-bromo-3-methyltriazol-4-yl)-(1,4-dioxan-2-yl)methanol
CID 106465738
1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 65350804
(4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol
CID 115834933
[(2-methyl-1,2,4-triazol-3-yl)-(oxolan-2-yl)methyl]hydrazine
CID 130530447
1,4-dioxan-2-yl(phenyl)methanol
CID 62803674
1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837776
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dioxan-2-yl)methanol
CID 115835854
2-(dimethylamino)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-ol
CID 130529651
1-(1,4-dioxan-2-yl)ethanol
CID 57186415
1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837206
1-(1,4-dioxan-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 65352324

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of 1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol (CID 130530429) is 1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for 1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for 1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol is Cn1ncnc1C(O)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is OWDMLPZKDRKCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-11-8(9-5-10-11)7(12)6-4-13-2-3-14-6/h5-7,12H,2-4H2,1H3.
What are the key properties of 1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol?
1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 199.21 g/mol, XLogP of -0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 130530429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).