N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine

C17H17N5O2 — CID 94026753

IUPACN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine
SMILESCN(C[C@H]1COc2ccccc2O1)c1cncc(-n2cccn2)n1
InChIInChI=1S/C17H17N5O2/c1-21(11-13-12-23-14-5-2-3-6-15(14)24-13)16-9-18-10-17(20-16)22-8-4-7-19-22/h2-10,13H,11-12H2,1H3/t13-/m0/s1
InChIKeyRANRMAYWIHWSMR-ZDUSSCGKSA-N
MW323.36 g/mol
LogP1.94
Rot. Bonds4

About N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine (PubChem CID 94026753) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine
PubChem CID94026753
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine
SMILESCN(C[C@H]1COc2ccccc2O1)c1cncc(-n2cccn2)n1
InChIInChI=1S/C17H17N5O2/c1-21(11-13-12-23-14-5-2-3-6-15(14)24-13)16-9-18-10-17(20-16)22-8-4-7-19-22/h2-10,13H,11-12H2,1H3/t13-/m0/s1
InChIKeyRANRMAYWIHWSMR-ZDUSSCGKSA-N
XLogP1.94
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine with MolForge

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Related Compounds

2-(5-bromo-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpyrimidin-4-amine
CID 154851429
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 94017188
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide
CID 94821663
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)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine
CID 126771566
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]pyrazole
CID 129497522
N-[(3,5-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine
CID 47054588
5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 72927693
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-3H-quinazolin-4-one
CID 136816752
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-N-methylacetamide
CID 98360388
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(2-pyrazol-1-ylethylamino)acetamide
CID 95757920
4-chloro-5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-phenylpyridazin-3-one
CID 9195293

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine?
The IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine (CID 94026753) is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine.
What is the SMILES notation for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine?
The canonical SMILES for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine is CN(C[C@H]1COc2ccccc2O1)c1cncc(-n2cccn2)n1.
What is the InChIKey of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine?
The InChIKey is RANRMAYWIHWSMR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-21(11-13-12-23-14-5-2-3-6-15(14)24-13)16-9-18-10-17(20-16)22-8-4-7-19-22/h2-10,13H,11-12H2,1H3/t13-/m0/s1.
What are the key properties of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine?
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine has a molecular weight of 323.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine is sourced from PubChem (CID 94026753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).