8-(azepan-1-yl)imidazo[1,2-a]pyrazine

C12H16N4 — CID 165431553

IUPAC8-(azepan-1-yl)imidazo[1,2-a]pyrazine
SMILESc1cn2ccnc2c(N2CCCCCC2)n1
InChIInChI=1S/C12H16N4/c1-2-4-8-15(7-3-1)11-12-14-6-10-16(12)9-5-13-11/h5-6,9-10H,1-4,7-8H2
InChIKeyRMWCTRJBLQLLLK-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.11
Rot. Bonds1

About 8-(azepan-1-yl)imidazo[1,2-a]pyrazine

8-(azepan-1-yl)imidazo[1,2-a]pyrazine (PubChem CID 165431553) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 8-(azepan-1-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-(azepan-1-yl)imidazo[1,2-a]pyrazine
PubChem CID165431553
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name8-(azepan-1-yl)imidazo[1,2-a]pyrazine
SMILESc1cn2ccnc2c(N2CCCCCC2)n1
InChIInChI=1S/C12H16N4/c1-2-4-8-15(7-3-1)11-12-14-6-10-16(12)9-5-13-11/h5-6,9-10H,1-4,7-8H2
InChIKeyRMWCTRJBLQLLLK-UHFFFAOYSA-N
XLogP2.11
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(azepan-1-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 8-(azepan-1-yl)imidazo[1,2-a]pyrazine (CID 165431553) is 8-(azepan-1-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-(azepan-1-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-(azepan-1-yl)imidazo[1,2-a]pyrazine is c1cn2ccnc2c(N2CCCCCC2)n1.
What is the InChIKey of 8-(azepan-1-yl)imidazo[1,2-a]pyrazine?
The InChIKey is RMWCTRJBLQLLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-4-8-15(7-3-1)11-12-14-6-10-16(12)9-5-13-11/h5-6,9-10H,1-4,7-8H2.
What are the key properties of 8-(azepan-1-yl)imidazo[1,2-a]pyrazine?
8-(azepan-1-yl)imidazo[1,2-a]pyrazine has a molecular weight of 216.29 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(azepan-1-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 165431553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).