2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-yl)ethanamine

C10H12N4O2 — CID 82146460

IUPAC2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-yl)ethanamine
SMILESNCCn1nnc2cc3c(cc21)OCCO3
InChIInChI=1S/C10H12N4O2/c11-1-2-14-8-6-10-9(15-3-4-16-10)5-7(8)12-13-14/h5-6H,1-4,11H2
InChIKeyMCHMJVJSHHBQBI-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.16
Rot. Bonds2

About 2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-yl)ethanamine

2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-yl)ethanamine (PubChem CID 82146460) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-yl)ethanamine
PubChem CID82146460
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-yl)ethanamine
SMILESNCCn1nnc2cc3c(cc21)OCCO3
InChIInChI=1S/C10H12N4O2/c11-1-2-14-8-6-10-9(15-3-4-16-10)5-7(8)12-13-14/h5-6H,1-4,11H2
InChIKeyMCHMJVJSHHBQBI-UHFFFAOYSA-N
XLogP0.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-ylmethyl)aniline
CID 82147424
4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline
CID 82097874
1-(2-piperidin-2-ylethyl)-[1,3]dioxolo[4,5-f]benzotriazole
CID 82147344
2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145885
2-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145826
2-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanamine
CID 94749003
3-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-amine
CID 82145837
2-methyl-2-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propan-1-amine
CID 84638618
2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145913
ethyl 1-(2-aminoethyl)benzotriazole-5-carboxylate
CID 91811951
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate
CID 5183286
3-([1,3]dioxolo[4,5-f]benzotriazol-1-ylmethyl)benzoic acid
CID 82146561

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-yl)ethanamine?
The IUPAC name of 2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-yl)ethanamine (CID 82146460) is 2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-yl)ethanamine.
What is the SMILES notation for 2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-yl)ethanamine?
The canonical SMILES for 2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-yl)ethanamine is NCCn1nnc2cc3c(cc21)OCCO3.
What is the InChIKey of 2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-yl)ethanamine?
The InChIKey is MCHMJVJSHHBQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-1-2-14-8-6-10-9(15-3-4-16-10)5-7(8)12-13-14/h5-6H,1-4,11H2.
What are the key properties of 2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-yl)ethanamine?
2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-yl)ethanamine has a molecular weight of 220.23 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-yl)ethanamine is sourced from PubChem (CID 82146460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).