(6R)-2-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C17H22N4O3 — CID 95324546

IUPAC(6R)-2-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCc1nc2n(n1)C[C@H](NCc1cc(OC)c3c(c1)OCO3)CC2
InChIInChI=1S/C17H22N4O3/c1-3-15-19-16-5-4-12(9-21(16)20-15)18-8-11-6-13(22-2)17-14(7-11)23-10-24-17/h6-7,12,18H,3-5,8-10H2,1-2H3/t12-/m1/s1
InChIKeyPHWORKZNENZTOL-GFCCVEGCSA-N
MW330.39 g/mol
LogP1.68
Rot. Bonds5

About (6R)-2-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

(6R)-2-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95324546) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (6R)-2-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6R)-2-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95324546
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(6R)-2-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCc1nc2n(n1)C[C@H](NCc1cc(OC)c3c(c1)OCO3)CC2
InChIInChI=1S/C17H22N4O3/c1-3-15-19-16-5-4-12(9-21(16)20-15)18-8-11-6-13(22-2)17-14(7-11)23-10-24-17/h6-7,12,18H,3-5,8-10H2,1-2H3/t12-/m1/s1
InChIKeyPHWORKZNENZTOL-GFCCVEGCSA-N
XLogP1.68
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6R)-2-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Related Compounds

4-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclohexan-1-amine
CID 115584764
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methylcyclohexan-1-amine
CID 103653357
4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride
CID 56827806
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 115642853
N-[(4-butoxy-3-ethoxyphenyl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127553
3-ethylsulfanyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopentan-1-amine
CID 103702421
4-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]benzonitrile
CID 119124034
3-[(3S)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129473045
cis-(1R,2S)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-methylcyclopropan-1-amine
CID 124542831
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124428
cyclopropyl-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]piperidin-1-yl]methanone
CID 56808723
(3S)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95336987

Frequently Asked Questions

What is the IUPAC name of (6R)-2-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6R)-2-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95324546) is (6R)-2-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6R)-2-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6R)-2-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CCc1nc2n(n1)C[C@H](NCc1cc(OC)c3c(c1)OCO3)CC2.
What is the InChIKey of (6R)-2-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is PHWORKZNENZTOL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-15-19-16-5-4-12(9-21(16)20-15)18-8-11-6-13(22-2)17-14(7-11)23-10-24-17/h6-7,12,18H,3-5,8-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (6R)-2-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6R)-2-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 330.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95324546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).