1-pyrazin-2-ylazepane

C10H15N3 — CID 2867732

IUPAC1-pyrazin-2-ylazepane
SMILESc1cnc(N2CCCCCC2)cn1
InChIInChI=1S/C10H15N3/c1-2-4-8-13(7-3-1)10-9-11-5-6-12-10/h5-6,9H,1-4,7-8H2
InChIKeyALZRYURNSVYEKA-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.86
Rot. Bonds1

About 1-pyrazin-2-ylazepane

1-pyrazin-2-ylazepane (PubChem CID 2867732) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-pyrazin-2-ylazepane.

Molecular Properties

Compound Name1-pyrazin-2-ylazepane
PubChem CID2867732
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-pyrazin-2-ylazepane
SMILESc1cnc(N2CCCCCC2)cn1
InChIInChI=1S/C10H15N3/c1-2-4-8-13(7-3-1)10-9-11-5-6-12-10/h5-6,9H,1-4,7-8H2
InChIKeyALZRYURNSVYEKA-UHFFFAOYSA-N
XLogP1.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylazepane?
The IUPAC name of 1-pyrazin-2-ylazepane (CID 2867732) is 1-pyrazin-2-ylazepane.
What is the SMILES notation for 1-pyrazin-2-ylazepane?
The canonical SMILES for 1-pyrazin-2-ylazepane is c1cnc(N2CCCCCC2)cn1.
What is the InChIKey of 1-pyrazin-2-ylazepane?
The InChIKey is ALZRYURNSVYEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-4-8-13(7-3-1)10-9-11-5-6-12-10/h5-6,9H,1-4,7-8H2.
What are the key properties of 1-pyrazin-2-ylazepane?
1-pyrazin-2-ylazepane has a molecular weight of 177.25 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylazepane is sourced from PubChem (CID 2867732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).