[1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol

C11H11N3O3 — CID 55066745

IUPAC[1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc3c(c2)OCCO3)nn1
InChIInChI=1S/C11H11N3O3/c15-7-8-6-14(13-12-8)9-1-2-10-11(5-9)17-4-3-16-10/h1-2,5-6,15H,3-4,7H2
InChIKeyFRSRKIWOFXINSV-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.53
Rot. Bonds2

About [1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol

[1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol (PubChem CID 55066745) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is [1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol
PubChem CID55066745
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name[1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc3c(c2)OCCO3)nn1
InChIInChI=1S/C11H11N3O3/c15-7-8-6-14(13-12-8)9-1-2-10-11(5-9)17-4-3-16-10/h1-2,5-6,15H,3-4,7H2
InChIKeyFRSRKIWOFXINSV-UHFFFAOYSA-N
XLogP0.53
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(bromomethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole
CID 55066662
2-amino-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]propanoic acid
CID 116734811
4-(2-chloroethyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)triazole
CID 62401184
3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)triazol-4-yl]propanoic acid
CID 107460460
3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)triazol-4-yl]propan-1-amine
CID 106220486
N-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)triazol-4-yl]methyl]propan-2-amine
CID 66206289
methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxylate
CID 122241226
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]butan-1-amine
CID 106226655
N-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 166384443
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyltriazol-4-yl]methanol
CID 56686712
1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)triazol-4-yl]ethanamine
CID 114419292
4-(1-bromoethyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)triazole
CID 81448768

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol?
The IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol (CID 55066745) is [1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol?
The canonical SMILES for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol is OCc1cn(-c2ccc3c(c2)OCCO3)nn1.
What is the InChIKey of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol?
The InChIKey is FRSRKIWOFXINSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-7-8-6-14(13-12-8)9-1-2-10-11(5-9)17-4-3-16-10/h1-2,5-6,15H,3-4,7H2.
What are the key properties of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol?
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol has a molecular weight of 233.23 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol is sourced from PubChem (CID 55066745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).