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

C10H11BrN4O — CID 90020380

IUPAC(1R,3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1cncc(Br)n1)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C10H11BrN4O/c11-8-3-12-4-9(14-8)15-10(16)7-2-5-1-6(5)13-7/h3-7,13H,1-2H2,(H,14,15,16)/t5-,6-,7+/m1/s1
InChIKeyQHRLAICGQASOEO-QYNIQEEDSA-N
MW283.13 g/mol
LogP0.93
Rot. Bonds2

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

(1R,3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 90020380) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is (1R,3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID90020380
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name(1R,3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1cncc(Br)n1)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C10H11BrN4O/c11-8-3-12-4-9(14-8)15-10(16)7-2-5-1-6(5)13-7/h3-7,13H,1-2H2,(H,14,15,16)/t5-,6-,7+/m1/s1
InChIKeyQHRLAICGQASOEO-QYNIQEEDSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 90020380) is (1R,3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(Nc1cncc(Br)n1)[C@@H]1C[C@H]2C[C@H]2N1.
What is the InChIKey of (1R,3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is QHRLAICGQASOEO-QYNIQEEDSA-N. The full InChI is InChI=1S/C10H11BrN4O/c11-8-3-12-4-9(14-8)15-10(16)7-2-5-1-6(5)13-7/h3-7,13H,1-2H2,(H,14,15,16)/t5-,6-,7+/m1/s1.
What are the key properties of (1R,3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 283.13 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 90020380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).