N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine

C17H22N4O2 — CID 126771566

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(N(C)CC2COc3ccccc3O2)nc1CC
InChIInChI=1S/C17H22N4O2/c1-4-13-14(5-2)19-20-17(18-13)21(3)10-12-11-22-15-8-6-7-9-16(15)23-12/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyDVOOGMWUFJMSGZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.27
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine (PubChem CID 126771566) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine
PubChem CID126771566
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(N(C)CC2COc3ccccc3O2)nc1CC
InChIInChI=1S/C17H22N4O2/c1-4-13-14(5-2)19-20-17(18-13)21(3)10-12-11-22-15-8-6-7-9-16(15)23-12/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyDVOOGMWUFJMSGZ-UHFFFAOYSA-N
XLogP2.27
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 72927693
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 45252895
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6-methylpyridin-2-amine
CID 133481795
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine
CID 94026753
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-3H-quinazolin-4-one
CID 136816752
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 47016247
3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile
CID 124872549
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine
CID 133489254
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine
CID 142524925
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 94017188
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine
CID 43607109

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine (CID 126771566) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine is CCc1nnc(N(C)CC2COc3ccccc3O2)nc1CC.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine?
The InChIKey is DVOOGMWUFJMSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-13-14(5-2)19-20-17(18-13)21(3)10-12-11-22-15-8-6-7-9-16(15)23-12/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine has a molecular weight of 314.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 126771566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).