1-(6-chloropyrazin-2-yl)azepan-4-ol

C10H14ClN3O — CID 130702579

IUPAC1-(6-chloropyrazin-2-yl)azepan-4-ol
SMILESOC1CCCN(c2cncc(Cl)n2)CC1
InChIInChI=1S/C10H14ClN3O/c11-9-6-12-7-10(13-9)14-4-1-2-8(15)3-5-14/h6-8,15H,1-5H2
InChIKeyBNCRLNBRDLOQRY-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.48
Rot. Bonds1

About 1-(6-chloropyrazin-2-yl)azepan-4-ol

1-(6-chloropyrazin-2-yl)azepan-4-ol (PubChem CID 130702579) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-(6-chloropyrazin-2-yl)azepan-4-ol.

Molecular Properties

Compound Name1-(6-chloropyrazin-2-yl)azepan-4-ol
PubChem CID130702579
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name1-(6-chloropyrazin-2-yl)azepan-4-ol
SMILESOC1CCCN(c2cncc(Cl)n2)CC1
InChIInChI=1S/C10H14ClN3O/c11-9-6-12-7-10(13-9)14-4-1-2-8(15)3-5-14/h6-8,15H,1-5H2
InChIKeyBNCRLNBRDLOQRY-UHFFFAOYSA-N
XLogP1.48
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(6-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 86323671
2-chloro-6-(3-methylpiperidin-1-yl)pyrazine
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2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 59598902
1-(6-chloropyridazin-3-yl)azepan-4-ol
CID 130608611
2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine
CID 62996393
2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]oxyethanol
CID 133315157
6-(3-hydroxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66457642
2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid
CID 114335425
N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide
CID 71996611
1-(6-chloropyrazin-2-yl)-3-methylpiperidin-4-amine
CID 116650896
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95243006
2-[4-(6-chloropyrazin-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 114335407

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrazin-2-yl)azepan-4-ol?
The IUPAC name of 1-(6-chloropyrazin-2-yl)azepan-4-ol (CID 130702579) is 1-(6-chloropyrazin-2-yl)azepan-4-ol.
What is the SMILES notation for 1-(6-chloropyrazin-2-yl)azepan-4-ol?
The canonical SMILES for 1-(6-chloropyrazin-2-yl)azepan-4-ol is OC1CCCN(c2cncc(Cl)n2)CC1.
What is the InChIKey of 1-(6-chloropyrazin-2-yl)azepan-4-ol?
The InChIKey is BNCRLNBRDLOQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-9-6-12-7-10(13-9)14-4-1-2-8(15)3-5-14/h6-8,15H,1-5H2.
What are the key properties of 1-(6-chloropyrazin-2-yl)azepan-4-ol?
1-(6-chloropyrazin-2-yl)azepan-4-ol has a molecular weight of 227.69 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrazin-2-yl)azepan-4-ol is sourced from PubChem (CID 130702579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).