3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine

C13H10N4O3 — CID 82370247

IUPAC3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine
SMILESNc1c(-c2ccco2)nnn1-c1ccc2c(c1)OCO2
InChIInChI=1S/C13H10N4O3/c14-13-12(10-2-1-5-18-10)15-16-17(13)8-3-4-9-11(6-8)20-7-19-9/h1-6H,7,14H2
InChIKeyMXOMOPMAIQYGKG-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.84
Rot. Bonds2

About 3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine

3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine (PubChem CID 82370247) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine
PubChem CID82370247
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine
SMILESNc1c(-c2ccco2)nnn1-c1ccc2c(c1)OCO2
InChIInChI=1S/C13H10N4O3/c14-13-12(10-2-1-5-18-10)15-16-17(13)8-3-4-9-11(6-8)20-7-19-9/h1-6H,7,14H2
InChIKeyMXOMOPMAIQYGKG-UHFFFAOYSA-N
XLogP1.84
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-chloro-4-methylphenyl)-5-(furan-2-yl)triazol-4-amine
CID 82370656
3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine
CID 82370391
2-[5-amino-4-(furan-2-yl)triazol-1-yl]benzoic acid
CID 82370818
5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(3-methylphenyl)triazol-4-amine
CID 20904366
5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(4-bromophenyl)triazol-4-amine
CID 16832866
3-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]aniline
CID 82228202
[1-(1,3-benzodioxol-5-yl)-5-ethyltriazol-4-yl]methanol
CID 56686707
4-[2-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]pyrrolidin-2-one
CID 72922844
1-(1,3-benzodioxol-5-yl)-5-phenyltriazole-4-carboxylic acid
CID 56768649
1-[1-(1,3-benzodioxol-5-yl)-5-methyltriazol-4-yl]ethanone
CID 82201489
[1-(1,3-benzodioxol-5-yl)-5-cyclohexyltriazol-4-yl]methanamine
CID 82196954
[1-(1,3-benzodioxol-5-yl)-5-pentan-3-yltriazol-4-yl]methanamine
CID 82196951

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine (CID 82370247) is 3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine is Nc1c(-c2ccco2)nnn1-c1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine?
The InChIKey is MXOMOPMAIQYGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c14-13-12(10-2-1-5-18-10)15-16-17(13)8-3-4-9-11(6-8)20-7-19-9/h1-6H,7,14H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine?
3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine has a molecular weight of 270.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine is sourced from PubChem (CID 82370247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).