N'-amino-2-cyanopyridine-3-carboximidamide

C7H7N5 — CID 138107943

IUPACN'-amino-2-cyanopyridine-3-carboximidamide
SMILESN#Cc1ncccc1C(N)=NN
InChIInChI=1S/C7H7N5/c8-4-6-5(7(9)12-10)2-1-3-11-6/h1-3H,10H2,(H2,9,12)
InChIKeyFYGULRXEKMVHMD-UHFFFAOYSA-N
MW161.17 g/mol
LogP-0.47
Rot. Bonds1

About N'-amino-2-cyanopyridine-3-carboximidamide

N'-amino-2-cyanopyridine-3-carboximidamide (PubChem CID 138107943) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is N'-amino-2-cyanopyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-amino-2-cyanopyridine-3-carboximidamide
PubChem CID138107943
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC NameN'-amino-2-cyanopyridine-3-carboximidamide
SMILESN#Cc1ncccc1C(N)=NN
InChIInChI=1S/C7H7N5/c8-4-6-5(7(9)12-10)2-1-3-11-6/h1-3H,10H2,(H2,9,12)
InChIKeyFYGULRXEKMVHMD-UHFFFAOYSA-N
XLogP-0.47
TPSA101.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyanopyridine-3-carboximidamide?
The IUPAC name of N'-amino-2-cyanopyridine-3-carboximidamide (CID 138107943) is N'-amino-2-cyanopyridine-3-carboximidamide.
What is the SMILES notation for N'-amino-2-cyanopyridine-3-carboximidamide?
The canonical SMILES for N'-amino-2-cyanopyridine-3-carboximidamide is N#Cc1ncccc1C(N)=NN.
What is the InChIKey of N'-amino-2-cyanopyridine-3-carboximidamide?
The InChIKey is FYGULRXEKMVHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c8-4-6-5(7(9)12-10)2-1-3-11-6/h1-3H,10H2,(H2,9,12).
What are the key properties of N'-amino-2-cyanopyridine-3-carboximidamide?
N'-amino-2-cyanopyridine-3-carboximidamide has a molecular weight of 161.17 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-cyanopyridine-3-carboximidamide is sourced from PubChem (CID 138107943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).