3,7-di(propan-2-yl)pyrrolo[1,2-a]pyrazine

C13H18N2 — CID 59534174

IUPAC3,7-di(propan-2-yl)pyrrolo[1,2-a]pyrazine
SMILESCC(C)c1cc2cnc(C(C)C)cn2c1
InChIInChI=1S/C13H18N2/c1-9(2)11-5-12-6-14-13(10(3)4)8-15(12)7-11/h5-10H,1-4H3
InChIKeyJPHKEIJZMMNXSE-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.58
Rot. Bonds2

About 3,7-di(propan-2-yl)pyrrolo[1,2-a]pyrazine

3,7-di(propan-2-yl)pyrrolo[1,2-a]pyrazine (PubChem CID 59534174) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3,7-di(propan-2-yl)pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3,7-di(propan-2-yl)pyrrolo[1,2-a]pyrazine
PubChem CID59534174
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3,7-di(propan-2-yl)pyrrolo[1,2-a]pyrazine
SMILESCC(C)c1cc2cnc(C(C)C)cn2c1
InChIInChI=1S/C13H18N2/c1-9(2)11-5-12-6-14-13(10(3)4)8-15(12)7-11/h5-10H,1-4H3
InChIKeyJPHKEIJZMMNXSE-UHFFFAOYSA-N
XLogP3.58
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-di(propan-2-yl)pyrrolo[1,2-a]pyrazine?
The IUPAC name of 3,7-di(propan-2-yl)pyrrolo[1,2-a]pyrazine (CID 59534174) is 3,7-di(propan-2-yl)pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3,7-di(propan-2-yl)pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3,7-di(propan-2-yl)pyrrolo[1,2-a]pyrazine is CC(C)c1cc2cnc(C(C)C)cn2c1.
What is the InChIKey of 3,7-di(propan-2-yl)pyrrolo[1,2-a]pyrazine?
The InChIKey is JPHKEIJZMMNXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9(2)11-5-12-6-14-13(10(3)4)8-15(12)7-11/h5-10H,1-4H3.
What are the key properties of 3,7-di(propan-2-yl)pyrrolo[1,2-a]pyrazine?
3,7-di(propan-2-yl)pyrrolo[1,2-a]pyrazine has a molecular weight of 202.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-di(propan-2-yl)pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 59534174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).