4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol

C9H15N3O2 — CID 107045763

IUPAC4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol
SMILESCn1cc(CC2(O)CCOCC2)nn1
InChIInChI=1S/C9H15N3O2/c1-12-7-8(10-11-12)6-9(13)2-4-14-5-3-9/h7,13H,2-6H2,1H3
InChIKeyDDZQZMOMJHLHQY-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.10
Rot. Bonds2

About 4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol

4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol (PubChem CID 107045763) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol
PubChem CID107045763
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol
SMILESCn1cc(CC2(O)CCOCC2)nn1
InChIInChI=1S/C9H15N3O2/c1-12-7-8(10-11-12)6-9(13)2-4-14-5-3-9/h7,13H,2-6H2,1H3
InChIKeyDDZQZMOMJHLHQY-UHFFFAOYSA-N
XLogP-0.10
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-ol
CID 107045687
1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
CID 107045659
4-[(1-methyltriazol-4-yl)methyl]oxane-4-carbonitrile
CID 107057305
4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
CID 115758120
1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol
CID 107046101
4-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol
CID 107045762
4-[(1-methyltriazol-4-yl)methyl]morpholine
CID 130163626
2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol
CID 130674404
(1-methyltriazol-4-yl)methanol;tungsten
CID 163298775
2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
CID 107046074
4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
CID 64772234
1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol
CID 107048234

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol?
The IUPAC name of 4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol (CID 107045763) is 4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol?
The canonical SMILES for 4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol is Cn1cc(CC2(O)CCOCC2)nn1.
What is the InChIKey of 4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol?
The InChIKey is DDZQZMOMJHLHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-12-7-8(10-11-12)6-9(13)2-4-14-5-3-9/h7,13H,2-6H2,1H3.
What are the key properties of 4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol?
4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol has a molecular weight of 197.24 g/mol, XLogP of -0.10, 2 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)methyl]oxan-4-ol is sourced from PubChem (CID 107045763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).