1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol

C15H17N3O3 — CID 62846276

IUPAC1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol
SMILESCc1cnc(CNCC(O)c2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C15H17N3O3/c1-10-5-18-12(7-17-10)6-16-8-13(19)11-2-3-14-15(4-11)21-9-20-14/h2-5,7,13,16,19H,6,8-9H2,1H3
InChIKeyBKDSDEOOKPQIOS-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.34
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol

1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol (PubChem CID 62846276) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol
PubChem CID62846276
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol
SMILESCc1cnc(CNCC(O)c2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C15H17N3O3/c1-10-5-18-12(7-17-10)6-16-8-13(19)11-2-3-14-15(4-11)21-9-20-14/h2-5,7,13,16,19H,6,8-9H2,1H3
InChIKeyBKDSDEOOKPQIOS-UHFFFAOYSA-N
XLogP1.34
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol
CID 62848099
1-(1,3-benzodioxol-5-yl)-2-[(1-methylpyrazol-4-yl)methylamino]ethanol
CID 61349275
1-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)ethanol
CID 47052990
(1R)-1-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)ethanol
CID 94174339
1-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylbutylamino)ethanol
CID 64597062
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 61280625
2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylamino]-1-(4-methylphenyl)ethanol
CID 119114249
(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 94172256
(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 94172257
1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62847369
1-(6-bromo-1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62847893
1-(1,3-benzodioxol-5-yl)-2-(cyclobutylmethylamino)ethanol
CID 60901212

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol (CID 62846276) is 1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol is Cc1cnc(CNCC(O)c2ccc3c(c2)OCO3)cn1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol?
The InChIKey is BKDSDEOOKPQIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-5-18-12(7-17-10)6-16-8-13(19)11-2-3-14-15(4-11)21-9-20-14/h2-5,7,13,16,19H,6,8-9H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol?
1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol has a molecular weight of 287.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol is sourced from PubChem (CID 62846276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).