3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol

C10H11N3O3 — CID 83968850

IUPAC3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol
SMILESOCCCn1nc2cc3c(cc2n1)OCO3
InChIInChI=1S/C10H11N3O3/c14-3-1-2-13-11-7-4-9-10(16-6-15-9)5-8(7)12-13/h4-5,14H,1-3,6H2
InChIKeyXKMPDEGRYNVIQX-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.54
Rot. Bonds3

About 3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol

3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol (PubChem CID 83968850) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol
PubChem CID83968850
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol
SMILESOCCCn1nc2cc3c(cc2n1)OCO3
InChIInChI=1S/C10H11N3O3/c14-3-1-2-13-11-7-4-9-10(16-6-15-9)5-8(7)12-13/h4-5,14H,1-3,6H2
InChIKeyXKMPDEGRYNVIQX-UHFFFAOYSA-N
XLogP0.54
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol
CID 83968869
3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
CID 82149606
3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol
CID 82149522
3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
CID 82149592
3-(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
CID 82149589
3-[(7-methyl-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)sulfanyl]propan-1-ol
CID 84617351
3-[6-(2-hydroxyethyl)-1,3-benzodioxol-5-yl]propan-1-ol
CID 91665287
2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol
CID 82149388
5-(3-hydroxypropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157853
2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol
CID 11638140
3-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268156
2-(5-methylbenzotriazol-2-yl)ethanol
CID 83968941

Frequently Asked Questions

What is the IUPAC name of 3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol?
The IUPAC name of 3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol (CID 83968850) is 3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol?
The canonical SMILES for 3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol is OCCCn1nc2cc3c(cc2n1)OCO3.
What is the InChIKey of 3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol?
The InChIKey is XKMPDEGRYNVIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-3-1-2-13-11-7-4-9-10(16-6-15-9)5-8(7)12-13/h4-5,14H,1-3,6H2.
What are the key properties of 3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol?
3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol has a molecular weight of 221.22 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol is sourced from PubChem (CID 83968850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).