N'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide

C8H8BrN5 — CID 22662771

IUPACN'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ncc(Br)nc1C#N
InChIInChI=1S/C8H8BrN5/c1-14(2)5-12-8-6(3-10)13-7(9)4-11-8/h4-5H,1-2H3/b12-5+
InChIKeyZPJLEXQQDZICSP-LFYBBSHMSA-N
MW254.09 g/mol
LogP1.33
Rot. Bonds2

About N'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide

N'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 22662771) has the molecular formula C8H8BrN5 and a molecular weight of 254.09 g/mol. Its IUPAC name is N'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide
PubChem CID22662771
Molecular FormulaC8H8BrN5
Molecular Weight254.09 g/mol
Exact Mass253.00
IUPAC NameN'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ncc(Br)nc1C#N
InChIInChI=1S/C8H8BrN5/c1-14(2)5-12-8-6(3-10)13-7(9)4-11-8/h4-5H,1-2H3/b12-5+
InChIKeyZPJLEXQQDZICSP-LFYBBSHMSA-N
XLogP1.33
TPSA65.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide (CID 22662771) is N'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1ncc(Br)nc1C#N.
What is the InChIKey of N'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is ZPJLEXQQDZICSP-LFYBBSHMSA-N. The full InChI is InChI=1S/C8H8BrN5/c1-14(2)5-12-8-6(3-10)13-7(9)4-11-8/h4-5H,1-2H3/b12-5+.
What are the key properties of N'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide?
N'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 254.09 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 22662771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).