2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol

C11H18N4O — CID 63309595

IUPAC2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol
SMILESOCCN1CCCN(c2cnccn2)CC1
InChIInChI=1S/C11H18N4O/c16-9-8-14-4-1-5-15(7-6-14)11-10-12-2-3-13-11/h2-3,10,16H,1,4-9H2
InChIKeyDICDUOKMCMJBDC-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.02
Rot. Bonds3

About 2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol

2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol (PubChem CID 63309595) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol
PubChem CID63309595
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol
SMILESOCCN1CCCN(c2cnccn2)CC1
InChIInChI=1S/C11H18N4O/c16-9-8-14-4-1-5-15(7-6-14)11-10-12-2-3-13-11/h2-3,10,16H,1,4-9H2
InChIKeyDICDUOKMCMJBDC-UHFFFAOYSA-N
XLogP-0.02
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-phenylpropyl)-4-pyrazin-2-yl-1,4-diazepane
CID 70713672
2-[4-(4-bromo-2-pyridinyl)-1,4-diazepan-1-yl]ethanol
CID 118140352
2-[4-(3-chloro-4-pyridinyl)-1,4-diazepan-1-yl]ethanol
CID 79839795
2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol
CID 107226836
2-[4-[3-(hydroxymethyl)-4-pyridinyl]-1,4-diazepan-1-yl]ethanol
CID 107225535
5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyrazine-2-carboximidamide
CID 107223282
2-[4-(4-nitro-2-pyridinyl)-1,4-diazepan-1-yl]ethanol
CID 63309676
2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226843
3-piperidin-1-yl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazine
CID 171700804
2-[4-[6-(hydroxymethyl)pyrazin-2-yl]piperazin-1-yl]ethanol
CID 66465464
2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
CID 155198588
2-(4-iodopiperazin-1-yl)pyrazine
CID 143021662

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol?
The IUPAC name of 2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol (CID 63309595) is 2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol.
What is the SMILES notation for 2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol?
The canonical SMILES for 2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol is OCCN1CCCN(c2cnccn2)CC1.
What is the InChIKey of 2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol?
The InChIKey is DICDUOKMCMJBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c16-9-8-14-4-1-5-15(7-6-14)11-10-12-2-3-13-11/h2-3,10,16H,1,4-9H2.
What are the key properties of 2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol?
2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol has a molecular weight of 222.29 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol is sourced from PubChem (CID 63309595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).