(1R,2S,5S)-N-(6-bromopyrazin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide

C10H11BrN4O — CID 167316680

IUPAC(1R,2S,5S)-N-(6-bromopyrazin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESO=C(Nc1cncc(Br)n1)[C@H]1NC[C@H]2C[C@H]21
InChIInChI=1S/C10H11BrN4O/c11-7-3-12-4-8(14-7)15-10(16)9-6-1-5(6)2-13-9/h3-6,9,13H,1-2H2,(H,14,15,16)/t5-,6-,9+/m1/s1
InChIKeyZZGKRCBSGBWOAY-KCRUCZTKSA-N
MW283.13 g/mol
LogP0.79
Rot. Bonds2

About (1R,2S,5S)-N-(6-bromopyrazin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide

(1R,2S,5S)-N-(6-bromopyrazin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 167316680) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is (1R,2S,5S)-N-(6-bromopyrazin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,5S)-N-(6-bromopyrazin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide
PubChem CID167316680
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name(1R,2S,5S)-N-(6-bromopyrazin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESO=C(Nc1cncc(Br)n1)[C@H]1NC[C@H]2C[C@H]21
InChIInChI=1S/C10H11BrN4O/c11-7-3-12-4-8(14-7)15-10(16)9-6-1-5(6)2-13-9/h3-6,9,13H,1-2H2,(H,14,15,16)/t5-,6-,9+/m1/s1
InChIKeyZZGKRCBSGBWOAY-KCRUCZTKSA-N
XLogP0.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-N-(6-bromopyrazin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The IUPAC name of (1R,2S,5S)-N-(6-bromopyrazin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 167316680) is (1R,2S,5S)-N-(6-bromopyrazin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for (1R,2S,5S)-N-(6-bromopyrazin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for (1R,2S,5S)-N-(6-bromopyrazin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide is O=C(Nc1cncc(Br)n1)[C@H]1NC[C@H]2C[C@H]21.
What is the InChIKey of (1R,2S,5S)-N-(6-bromopyrazin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is ZZGKRCBSGBWOAY-KCRUCZTKSA-N. The full InChI is InChI=1S/C10H11BrN4O/c11-7-3-12-4-8(14-7)15-10(16)9-6-1-5(6)2-13-9/h3-6,9,13H,1-2H2,(H,14,15,16)/t5-,6-,9+/m1/s1.
What are the key properties of (1R,2S,5S)-N-(6-bromopyrazin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide?
(1R,2S,5S)-N-(6-bromopyrazin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 283.13 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-N-(6-bromopyrazin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 167316680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).