4-(3-methyloxetan-3-yl)-2H-triazole

C6H9N3O — CID 155038416

IUPAC4-(3-methyloxetan-3-yl)-2H-triazole
SMILESCC1(c2cn[nH]n2)COC1
InChIInChI=1S/C6H9N3O/c1-6(3-10-4-6)5-2-7-9-8-5/h2H,3-4H2,1H3,(H,7,8,9)
InChIKeyVIAAYWCALDTIML-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.09
Rot. Bonds1

About 4-(3-methyloxetan-3-yl)-2H-triazole

4-(3-methyloxetan-3-yl)-2H-triazole (PubChem CID 155038416) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 4-(3-methyloxetan-3-yl)-2H-triazole.

Molecular Properties

Compound Name4-(3-methyloxetan-3-yl)-2H-triazole
PubChem CID155038416
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name4-(3-methyloxetan-3-yl)-2H-triazole
SMILESCC1(c2cn[nH]n2)COC1
InChIInChI=1S/C6H9N3O/c1-6(3-10-4-6)5-2-7-9-8-5/h2H,3-4H2,1H3,(H,7,8,9)
InChIKeyVIAAYWCALDTIML-UHFFFAOYSA-N
XLogP0.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyloxetan-3-yl)-2H-triazole?
The IUPAC name of 4-(3-methyloxetan-3-yl)-2H-triazole (CID 155038416) is 4-(3-methyloxetan-3-yl)-2H-triazole.
What is the SMILES notation for 4-(3-methyloxetan-3-yl)-2H-triazole?
The canonical SMILES for 4-(3-methyloxetan-3-yl)-2H-triazole is CC1(c2cn[nH]n2)COC1.
What is the InChIKey of 4-(3-methyloxetan-3-yl)-2H-triazole?
The InChIKey is VIAAYWCALDTIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-6(3-10-4-6)5-2-7-9-8-5/h2H,3-4H2,1H3,(H,7,8,9).
What are the key properties of 4-(3-methyloxetan-3-yl)-2H-triazole?
4-(3-methyloxetan-3-yl)-2H-triazole has a molecular weight of 139.16 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyloxetan-3-yl)-2H-triazole is sourced from PubChem (CID 155038416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).