2-heptoxy-5-(4-heptoxyphenyl)pyrazine

C24H36N2O2 — CID 19103384

IUPAC2-heptoxy-5-(4-heptoxyphenyl)pyrazine
SMILESCCCCCCCOc1ccc(-c2cnc(OCCCCCCC)cn2)cc1
InChIInChI=1S/C24H36N2O2/c1-3-5-7-9-11-17-27-22-15-13-21(14-16-22)23-19-26-24(20-25-23)28-18-12-10-8-6-4-2/h13-16,19-20H,3-12,17-18H2,1-2H3
InChIKeyXVRJKMHENRTBIB-UHFFFAOYSA-N
MW384.56 g/mol
LogP6.84
Rot. Bonds15

About 2-heptoxy-5-(4-heptoxyphenyl)pyrazine

2-heptoxy-5-(4-heptoxyphenyl)pyrazine (PubChem CID 19103384) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 2-heptoxy-5-(4-heptoxyphenyl)pyrazine.

Molecular Properties

Compound Name2-heptoxy-5-(4-heptoxyphenyl)pyrazine
PubChem CID19103384
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name2-heptoxy-5-(4-heptoxyphenyl)pyrazine
SMILESCCCCCCCOc1ccc(-c2cnc(OCCCCCCC)cn2)cc1
InChIInChI=1S/C24H36N2O2/c1-3-5-7-9-11-17-27-22-15-13-21(14-16-22)23-19-26-24(20-25-23)28-18-12-10-8-6-4-2/h13-16,19-20H,3-12,17-18H2,1-2H3
InChIKeyXVRJKMHENRTBIB-UHFFFAOYSA-N
XLogP6.84
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417
2-(4-dodecoxyphenyl)-5-[(2S)-octan-2-yl]oxypyrazine
CID 14365796
[5-(4-hexoxyphenyl)pyrazin-2-yl] (4-octoxyphenyl) carbonate
CID 70426320
2-decoxy-5-[4-(trifluoromethyl)phenyl]pyrazine
CID 139625408
4-(5-butoxypyrazin-2-yl)benzonitrile
CID 71330453
2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine
CID 19859377
2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine
CID 22412891
2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine
CID 19859086
2-(6-octoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)pyrazine
CID 22412778
3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713
2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine
CID 19859908
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189

Frequently Asked Questions

What is the IUPAC name of 2-heptoxy-5-(4-heptoxyphenyl)pyrazine?
The IUPAC name of 2-heptoxy-5-(4-heptoxyphenyl)pyrazine (CID 19103384) is 2-heptoxy-5-(4-heptoxyphenyl)pyrazine.
What is the SMILES notation for 2-heptoxy-5-(4-heptoxyphenyl)pyrazine?
The canonical SMILES for 2-heptoxy-5-(4-heptoxyphenyl)pyrazine is CCCCCCCOc1ccc(-c2cnc(OCCCCCCC)cn2)cc1.
What is the InChIKey of 2-heptoxy-5-(4-heptoxyphenyl)pyrazine?
The InChIKey is XVRJKMHENRTBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-3-5-7-9-11-17-27-22-15-13-21(14-16-22)23-19-26-24(20-25-23)28-18-12-10-8-6-4-2/h13-16,19-20H,3-12,17-18H2,1-2H3.
What are the key properties of 2-heptoxy-5-(4-heptoxyphenyl)pyrazine?
2-heptoxy-5-(4-heptoxyphenyl)pyrazine has a molecular weight of 384.56 g/mol, XLogP of 6.84, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptoxy-5-(4-heptoxyphenyl)pyrazine is sourced from PubChem (CID 19103384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).