1-tert-butyl-N,N-dimethylimidazo[1,5-a]pyrazine-3-carboxamide

C13H18N4O — CID 134787988

IUPAC1-tert-butyl-N,N-dimethylimidazo[1,5-a]pyrazine-3-carboxamide
SMILESCN(C)C(=O)c1nc(C(C)(C)C)c2cnccn12
InChIInChI=1S/C13H18N4O/c1-13(2,3)10-9-8-14-6-7-17(9)11(15-10)12(18)16(4)5/h6-8H,1-5H3
InChIKeyXBFRQJZOCVOLFZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.73
Rot. Bonds1

About 1-tert-butyl-N,N-dimethylimidazo[1,5-a]pyrazine-3-carboxamide

1-tert-butyl-N,N-dimethylimidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 134787988) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-tert-butyl-N,N-dimethylimidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N,N-dimethylimidazo[1,5-a]pyrazine-3-carboxamide
PubChem CID134787988
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-tert-butyl-N,N-dimethylimidazo[1,5-a]pyrazine-3-carboxamide
SMILESCN(C)C(=O)c1nc(C(C)(C)C)c2cnccn12
InChIInChI=1S/C13H18N4O/c1-13(2,3)10-9-8-14-6-7-17(9)11(15-10)12(18)16(4)5/h6-8H,1-5H3
InChIKeyXBFRQJZOCVOLFZ-UHFFFAOYSA-N
XLogP1.73
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N,N-dimethylimidazo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N,N-dimethylimidazo[1,5-a]pyrazine-3-carboxamide (CID 134787988) is 1-tert-butyl-N,N-dimethylimidazo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N,N-dimethylimidazo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N,N-dimethylimidazo[1,5-a]pyrazine-3-carboxamide is CN(C)C(=O)c1nc(C(C)(C)C)c2cnccn12.
What is the InChIKey of 1-tert-butyl-N,N-dimethylimidazo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is XBFRQJZOCVOLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-13(2,3)10-9-8-14-6-7-17(9)11(15-10)12(18)16(4)5/h6-8H,1-5H3.
What are the key properties of 1-tert-butyl-N,N-dimethylimidazo[1,5-a]pyrazine-3-carboxamide?
1-tert-butyl-N,N-dimethylimidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N,N-dimethylimidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 134787988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).