butane;ethane;6-methylimidazo[1,5-a]pyrazine

C13H23N3 — CID 177037268

IUPACbutane;ethane;6-methylimidazo[1,5-a]pyrazine
SMILESCC.CCCC.Cc1cn2cncc2cn1
InChIInChI=1S/C7H7N3.C4H10.C2H6/c1-6-4-10-5-8-2-7(10)3-9-6;1-3-4-2;1-2/h2-5H,1H3;3-4H2,1-2H3;1-2H3
InChIKeyFBECLJGHENVLOD-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.87
Rot. Bonds1

About butane;ethane;6-methylimidazo[1,5-a]pyrazine

butane;ethane;6-methylimidazo[1,5-a]pyrazine (PubChem CID 177037268) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is butane;ethane;6-methylimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Namebutane;ethane;6-methylimidazo[1,5-a]pyrazine
PubChem CID177037268
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Namebutane;ethane;6-methylimidazo[1,5-a]pyrazine
SMILESCC.CCCC.Cc1cn2cncc2cn1
InChIInChI=1S/C7H7N3.C4H10.C2H6/c1-6-4-10-5-8-2-7(10)3-9-6;1-3-4-2;1-2/h2-5H,1H3;3-4H2,1-2H3;1-2H3
InChIKeyFBECLJGHENVLOD-UHFFFAOYSA-N
XLogP3.87
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butane;ethane;6-methylimidazo[1,5-a]pyrazine?
The IUPAC name of butane;ethane;6-methylimidazo[1,5-a]pyrazine (CID 177037268) is butane;ethane;6-methylimidazo[1,5-a]pyrazine.
What is the SMILES notation for butane;ethane;6-methylimidazo[1,5-a]pyrazine?
The canonical SMILES for butane;ethane;6-methylimidazo[1,5-a]pyrazine is CC.CCCC.Cc1cn2cncc2cn1.
What is the InChIKey of butane;ethane;6-methylimidazo[1,5-a]pyrazine?
The InChIKey is FBECLJGHENVLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C4H10.C2H6/c1-6-4-10-5-8-2-7(10)3-9-6;1-3-4-2;1-2/h2-5H,1H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;6-methylimidazo[1,5-a]pyrazine?
butane;ethane;6-methylimidazo[1,5-a]pyrazine has a molecular weight of 221.35 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;6-methylimidazo[1,5-a]pyrazine is sourced from PubChem (CID 177037268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).