2-[[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]amino]ethanol

C17H24N6O — CID 46230026

IUPAC2-[[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]amino]ethanol
SMILESCN1CCCN(c2nc(-c3ccncc3)cnc2NCCO)CC1
InChIInChI=1S/C17H24N6O/c1-22-8-2-9-23(11-10-22)17-16(19-7-12-24)20-13-15(21-17)14-3-5-18-6-4-14/h3-6,13,24H,2,7-12H2,1H3,(H,19,20)
InChIKeyQQNMOYJOWGKMCM-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.08
Rot. Bonds5

About 2-[[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]amino]ethanol

2-[[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]amino]ethanol (PubChem CID 46230026) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]amino]ethanol
PubChem CID46230026
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-[[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]amino]ethanol
SMILESCN1CCCN(c2nc(-c3ccncc3)cnc2NCCO)CC1
InChIInChI=1S/C17H24N6O/c1-22-8-2-9-23(11-10-22)17-16(19-7-12-24)20-13-15(21-17)14-3-5-18-6-4-14/h3-6,13,24H,2,7-12H2,1H3,(H,19,20)
InChIKeyQQNMOYJOWGKMCM-UHFFFAOYSA-N
XLogP1.08
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]amino]ethanol (CID 46230026) is 2-[[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]amino]ethanol is CN1CCCN(c2nc(-c3ccncc3)cnc2NCCO)CC1.
What is the InChIKey of 2-[[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]amino]ethanol?
The InChIKey is QQNMOYJOWGKMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-22-8-2-9-23(11-10-22)17-16(19-7-12-24)20-13-15(21-17)14-3-5-18-6-4-14/h3-6,13,24H,2,7-12H2,1H3,(H,19,20).
What are the key properties of 2-[[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]amino]ethanol?
2-[[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]amino]ethanol has a molecular weight of 328.42 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]amino]ethanol is sourced from PubChem (CID 46230026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).