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

C8H9N5 — CID 12686527

IUPACN'-(3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nccnc1C#N
InChIInChI=1S/C8H9N5/c1-13(2)6-12-8-7(5-9)10-3-4-11-8/h3-4,6H,1-2H3/b12-6+
InChIKeyBABGMLBFCAVOAY-WUXMJOGZSA-N
MW175.19 g/mol
LogP0.57
Rot. Bonds2

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

N'-(3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 12686527) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is N'-(3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide
PubChem CID12686527
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC NameN'-(3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nccnc1C#N
InChIInChI=1S/C8H9N5/c1-13(2)6-12-8-7(5-9)10-3-4-11-8/h3-4,6H,1-2H3/b12-6+
InChIKeyBABGMLBFCAVOAY-WUXMJOGZSA-N
XLogP0.57
TPSA65.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.57
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'-(3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide (CID 12686527) is N'-(3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1nccnc1C#N.
What is the InChIKey of N'-(3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is BABGMLBFCAVOAY-WUXMJOGZSA-N. The full InChI is InChI=1S/C8H9N5/c1-13(2)6-12-8-7(5-9)10-3-4-11-8/h3-4,6H,1-2H3/b12-6+.
What are the key properties of N'-(3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide?
N'-(3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 175.19 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 12686527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).