1-(propan-2-yloxymethoxy)benzotriazole

C10H13N3O2 — CID 121265115

IUPAC1-(propan-2-yloxymethoxy)benzotriazole
SMILESCC(C)OCOn1nnc2ccccc21
InChIInChI=1S/C10H13N3O2/c1-8(2)14-7-15-13-10-6-4-3-5-9(10)11-12-13/h3-6,8H,7H2,1-2H3
InChIKeyILAMLAWWIRNLLU-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.24
Rot. Bonds4

About 1-(propan-2-yloxymethoxy)benzotriazole

1-(propan-2-yloxymethoxy)benzotriazole (PubChem CID 121265115) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(propan-2-yloxymethoxy)benzotriazole.

Molecular Properties

Compound Name1-(propan-2-yloxymethoxy)benzotriazole
PubChem CID121265115
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-(propan-2-yloxymethoxy)benzotriazole
SMILESCC(C)OCOn1nnc2ccccc21
InChIInChI=1S/C10H13N3O2/c1-8(2)14-7-15-13-10-6-4-3-5-9(10)11-12-13/h3-6,8H,7H2,1-2H3
InChIKeyILAMLAWWIRNLLU-UHFFFAOYSA-N
XLogP1.24
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(propan-2-yloxymethoxy)benzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(benzotriazol-1-yloxy)propan-2-ol
CID 130556874
methane;1-methoxybenzotriazole
CID 161160564
1-[(4-bromophenyl)methoxy]benzotriazole
CID 2966833
1-(oxiran-2-ylmethoxy)benzotriazole
CID 10797780
benzotriazol-1-ylmethyl-dimethyl-propan-2-ylazanium
CID 135373003
benzotriazol-1-yl 3-methylbutyl carbonate
CID 91380083
1-[(1S)-1-ethoxyprop-2-ynyl]benzotriazole
CID 40527015
1-(propan-2-ylsulfonylmethyl)benzotriazole
CID 5096339
benzotriazol-1-yloxy-bis(dimethylamino)phosphanium
CID 19790982
3-(benzotriazol-1-yl)butan-1-ol
CID 130123820
1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901
(3S)-3-(benzotriazol-1-yl)butan-1-ol
CID 102325183

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-yloxymethoxy)benzotriazole?
The IUPAC name of 1-(propan-2-yloxymethoxy)benzotriazole (CID 121265115) is 1-(propan-2-yloxymethoxy)benzotriazole.
What is the SMILES notation for 1-(propan-2-yloxymethoxy)benzotriazole?
The canonical SMILES for 1-(propan-2-yloxymethoxy)benzotriazole is CC(C)OCOn1nnc2ccccc21.
What is the InChIKey of 1-(propan-2-yloxymethoxy)benzotriazole?
The InChIKey is ILAMLAWWIRNLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-8(2)14-7-15-13-10-6-4-3-5-9(10)11-12-13/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(propan-2-yloxymethoxy)benzotriazole?
1-(propan-2-yloxymethoxy)benzotriazole has a molecular weight of 207.23 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-yloxymethoxy)benzotriazole is sourced from PubChem (CID 121265115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).