benzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine

C24H24N4 — CID 144818057

IUPACbenzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine
SMILESc1ccccc1.c1ccccc1.c1cnc([C@H]2CC[C@H]2c2cnccn2)cn1
InChIInChI=1S/C12H12N4.2C6H6/c1-2-10(12-8-14-4-6-16-12)9(1)11-7-13-3-5-15-11;2*1-2-4-6-5-3-1/h3-10H,1-2H2;2*1-6H/t9-,10+;;
InChIKeyOICXDMCVNFDQOS-BUQWBUBUSA-N
MW368.48 g/mol
LogP5.30
Rot. Bonds2

About benzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine

benzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine (PubChem CID 144818057) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is benzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine.

Molecular Properties

Compound Namebenzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine
PubChem CID144818057
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Namebenzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine
SMILESc1ccccc1.c1ccccc1.c1cnc([C@H]2CC[C@H]2c2cnccn2)cn1
InChIInChI=1S/C12H12N4.2C6H6/c1-2-10(12-8-14-4-6-16-12)9(1)11-7-13-3-5-15-11;2*1-2-4-6-5-3-1/h3-10H,1-2H2;2*1-6H/t9-,10+;;
InChIKeyOICXDMCVNFDQOS-BUQWBUBUSA-N
XLogP5.30
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine?
The IUPAC name of benzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine (CID 144818057) is benzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine.
What is the SMILES notation for benzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine?
The canonical SMILES for benzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine is c1ccccc1.c1ccccc1.c1cnc([C@H]2CC[C@H]2c2cnccn2)cn1.
What is the InChIKey of benzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine?
The InChIKey is OICXDMCVNFDQOS-BUQWBUBUSA-N. The full InChI is InChI=1S/C12H12N4.2C6H6/c1-2-10(12-8-14-4-6-16-12)9(1)11-7-13-3-5-15-11;2*1-2-4-6-5-3-1/h3-10H,1-2H2;2*1-6H/t9-,10+;;.
What are the key properties of benzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine?
benzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine has a molecular weight of 368.48 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine is sourced from PubChem (CID 144818057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).