1-(oxiran-2-ylmethoxy)benzotriazole

C9H9N3O2 — CID 10797780

IUPAC1-(oxiran-2-ylmethoxy)benzotriazole
SMILESc1ccc2c(c1)nnn2OCC1CO1
InChIInChI=1S/C9H9N3O2/c1-2-4-9-8(3-1)10-11-12(9)14-6-7-5-13-7/h1-4,7H,5-6H2
InChIKeyZXWYBESWFSHWLY-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.26
Rot. Bonds3

About 1-(oxiran-2-ylmethoxy)benzotriazole

1-(oxiran-2-ylmethoxy)benzotriazole (PubChem CID 10797780) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethoxy)benzotriazole.

Molecular Properties

Compound Name1-(oxiran-2-ylmethoxy)benzotriazole
PubChem CID10797780
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1-(oxiran-2-ylmethoxy)benzotriazole
SMILESc1ccc2c(c1)nnn2OCC1CO1
InChIInChI=1S/C9H9N3O2/c1-2-4-9-8(3-1)10-11-12(9)14-6-7-5-13-7/h1-4,7H,5-6H2
InChIKeyZXWYBESWFSHWLY-UHFFFAOYSA-N
XLogP0.26
TPSA52.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,4-bis(benzotriazol-1-yl)-5-(oxiran-2-ylmethoxy)benzene-1,3-diol
CID 174775984
1-(propan-2-yloxymethoxy)benzotriazole
CID 121265115
(2S)-1-(benzotriazol-1-yloxy)propan-2-ol
CID 130556874
1-[(4-bromophenyl)methoxy]benzotriazole
CID 2966833
methane;1-methoxybenzotriazole
CID 161160564
[(3R,6S)-6-[2-(benzotriazol-1-yloxy)-2-oxoethyl]oxan-3-yl]carbamic acid
CID 89051469
2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 25369196
benzotriazol-1-yloxy-bis(dimethylamino)phosphanium
CID 19790982
4-(benzotriazol-1-yloxymethyl)-2-phenyl-1,3-oxazole
CID 32513417
1-[(2,4-dichlorophenyl)methoxy]benzotriazole
CID 682205
1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole
CID 67697086
benzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane
CID 148781712

Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-ylmethoxy)benzotriazole?
The IUPAC name of 1-(oxiran-2-ylmethoxy)benzotriazole (CID 10797780) is 1-(oxiran-2-ylmethoxy)benzotriazole.
What is the SMILES notation for 1-(oxiran-2-ylmethoxy)benzotriazole?
The canonical SMILES for 1-(oxiran-2-ylmethoxy)benzotriazole is c1ccc2c(c1)nnn2OCC1CO1.
What is the InChIKey of 1-(oxiran-2-ylmethoxy)benzotriazole?
The InChIKey is ZXWYBESWFSHWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-4-9-8(3-1)10-11-12(9)14-6-7-5-13-7/h1-4,7H,5-6H2.
What are the key properties of 1-(oxiran-2-ylmethoxy)benzotriazole?
1-(oxiran-2-ylmethoxy)benzotriazole has a molecular weight of 191.19 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethoxy)benzotriazole is sourced from PubChem (CID 10797780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).