N-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C12H16BrN3O — CID 66475756

IUPACN-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2cnc(Br)cn2)C1(C)C
InChIInChI=1S/C12H16BrN3O/c1-11(2)9(12(11,3)4)10(17)16-8-6-14-7(13)5-15-8/h5-6,9H,1-4H3,(H,15,16,17)
InChIKeyNYBXHQHQZPSQCP-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.86
Rot. Bonds2

About N-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 66475756) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID66475756
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC NameN-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2cnc(Br)cn2)C1(C)C
InChIInChI=1S/C12H16BrN3O/c1-11(2)9(12(11,3)4)10(17)16-8-6-14-7(13)5-15-8/h5-6,9H,1-4H3,(H,15,16,17)
InChIKeyNYBXHQHQZPSQCP-UHFFFAOYSA-N
XLogP2.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 66475756) is N-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)Nc2cnc(Br)cn2)C1(C)C.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is NYBXHQHQZPSQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-11(2)9(12(11,3)4)10(17)16-8-6-14-7(13)5-15-8/h5-6,9H,1-4H3,(H,15,16,17).
What are the key properties of N-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 66475756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).