N'-amino-2-cyanobenzenecarboximidamide

C8H8N4 — CID 66986698

IUPACN'-amino-2-cyanobenzenecarboximidamide
SMILESN#Cc1ccccc1C(N)=NN
InChIInChI=1S/C8H8N4/c9-5-6-3-1-2-4-7(6)8(10)12-11/h1-4H,11H2,(H2,10,12)
InChIKeyGLRATFCVBARFPB-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.14
Rot. Bonds1

About N'-amino-2-cyanobenzenecarboximidamide

N'-amino-2-cyanobenzenecarboximidamide (PubChem CID 66986698) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is N'-amino-2-cyanobenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-2-cyanobenzenecarboximidamide
PubChem CID66986698
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC NameN'-amino-2-cyanobenzenecarboximidamide
SMILESN#Cc1ccccc1C(N)=NN
InChIInChI=1S/C8H8N4/c9-5-6-3-1-2-4-7(6)8(10)12-11/h1-4H,11H2,(H2,10,12)
InChIKeyGLRATFCVBARFPB-UHFFFAOYSA-N
XLogP0.14
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-2-cyanobenzenecarboximidamide?
The IUPAC name of N'-amino-2-cyanobenzenecarboximidamide (CID 66986698) is N'-amino-2-cyanobenzenecarboximidamide.
What is the SMILES notation for N'-amino-2-cyanobenzenecarboximidamide?
The canonical SMILES for N'-amino-2-cyanobenzenecarboximidamide is N#Cc1ccccc1C(N)=NN.
What is the InChIKey of N'-amino-2-cyanobenzenecarboximidamide?
The InChIKey is GLRATFCVBARFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-5-6-3-1-2-4-7(6)8(10)12-11/h1-4H,11H2,(H2,10,12).
What are the key properties of N'-amino-2-cyanobenzenecarboximidamide?
N'-amino-2-cyanobenzenecarboximidamide has a molecular weight of 160.18 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-cyanobenzenecarboximidamide is sourced from PubChem (CID 66986698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).