1-(6-chloropyrazin-2-yl)azepane

C10H14ClN3 — CID 53408186

IUPAC1-(6-chloropyrazin-2-yl)azepane
SMILESClc1cncc(N2CCCCCC2)n1
InChIInChI=1S/C10H14ClN3/c11-9-7-12-8-10(13-9)14-5-3-1-2-4-6-14/h7-8H,1-6H2
InChIKeyUPIUWWQVYQXMQN-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.51
Rot. Bonds1

About 1-(6-chloropyrazin-2-yl)azepane

1-(6-chloropyrazin-2-yl)azepane (PubChem CID 53408186) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 1-(6-chloropyrazin-2-yl)azepane.

Molecular Properties

Compound Name1-(6-chloropyrazin-2-yl)azepane
PubChem CID53408186
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name1-(6-chloropyrazin-2-yl)azepane
SMILESClc1cncc(N2CCCCCC2)n1
InChIInChI=1S/C10H14ClN3/c11-9-7-12-8-10(13-9)14-5-3-1-2-4-6-14/h7-8H,1-6H2
InChIKeyUPIUWWQVYQXMQN-UHFFFAOYSA-N
XLogP2.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-6-(pyrrolidin-1-yl)pyrazine
CID 26967054
6-chloro-N,N-dimethylpyrazin-2-amine
CID 23273443
3-(6-Chloropyrazin-2-yl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134791302
3-(6-Chloropyrazin-2-yl)-3,8-diazabicyclo[3.2.1]octane
CID 44374496
2-Chloro-3-(pyrrolidin-1-yl)pyrazine
CID 51072290
2-Chloro-6-(4-methylpiperidin-1-yl)pyrazine
CID 25539137
1-Pyrazin-2-ylazepane
CID 2867732
N-butyl-6-chloro-N-methylpyrazin-2-amine
CID 53410844
2-Chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine
CID 86681768
2-Chloro-6-(4,4-difluoropiperidin-1-yl)pyrazine
CID 86725090
2-Chloro-3-(4,4-difluoropiperidin-1-yl)pyrazine
CID 121200767
1-(6-Chloro-3-iodopyrazin-2-yl)-4,4-difluoroazepane
CID 146525999

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrazin-2-yl)azepane?
The IUPAC name of 1-(6-chloropyrazin-2-yl)azepane (CID 53408186) is 1-(6-chloropyrazin-2-yl)azepane.
What is the SMILES notation for 1-(6-chloropyrazin-2-yl)azepane?
The canonical SMILES for 1-(6-chloropyrazin-2-yl)azepane is Clc1cncc(N2CCCCCC2)n1.
What is the InChIKey of 1-(6-chloropyrazin-2-yl)azepane?
The InChIKey is UPIUWWQVYQXMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c11-9-7-12-8-10(13-9)14-5-3-1-2-4-6-14/h7-8H,1-6H2.
What are the key properties of 1-(6-chloropyrazin-2-yl)azepane?
1-(6-chloropyrazin-2-yl)azepane has a molecular weight of 211.70 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrazin-2-yl)azepane is sourced from PubChem (CID 53408186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).