[4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol

C9H13N3O2 — CID 130892520

IUPAC[4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1C1C2COCC21
InChIInChI=1S/C9H13N3O2/c1-12-7(2-13)10-11-9(12)8-5-3-14-4-6(5)8/h5-6,8,13H,2-4H2,1H3
InChIKeyNATGIXXFVRLJFD-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.33
Rot. Bonds2

About [4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol

[4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol (PubChem CID 130892520) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is [4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol
PubChem CID130892520
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name[4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1C1C2COCC21
InChIInChI=1S/C9H13N3O2/c1-12-7(2-13)10-11-9(12)8-5-3-14-4-6(5)8/h5-6,8,13H,2-4H2,1H3
InChIKeyNATGIXXFVRLJFD-UHFFFAOYSA-N
XLogP-0.33
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol with MolForge

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Related Compounds

(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 115396998
[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 107186329
[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol
CID 115397058
1-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 118780074
[4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
CID 91834200
1-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 118789789
1-[(3R)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylsulfanylethanone
CID 99961915
[4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
CID 74234693
3-(chloromethyl)-4-methyl-5-(oxolan-3-yl)-1,2,4-triazole
CID 115398528
[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol
CID 134702676
[5-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 131914559
3-(3-oxabicyclo[3.1.0]hexan-6-yl)-4-propan-2-yl-1,2,4-triazole
CID 130965055

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol (CID 130892520) is [4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1C1C2COCC21.
What is the InChIKey of [4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is NATGIXXFVRLJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-7(2-13)10-11-9(12)8-5-3-14-4-6(5)8/h5-6,8,13H,2-4H2,1H3.
What are the key properties of [4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 195.22 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 130892520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).