6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile

C9H10N4 — CID 43598833

IUPAC6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CC2N)nc1
InChIInChI=1S/C9H10N4/c10-4-6-1-2-9(12-5-6)13-8-3-7(8)11/h1-2,5,7-8H,3,11H2,(H,12,13)
InChIKeyJBEIRILLUONHOA-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.46
Rot. Bonds2

About 6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile

6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile (PubChem CID 43598833) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile
PubChem CID43598833
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CC2N)nc1
InChIInChI=1S/C9H10N4/c10-4-6-1-2-9(12-5-6)13-8-3-7(8)11/h1-2,5,7-8H,3,11H2,(H,12,13)
InChIKeyJBEIRILLUONHOA-UHFFFAOYSA-N
XLogP0.46
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile (CID 43598833) is 6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile is N#Cc1ccc(NC2CC2N)nc1.
What is the InChIKey of 6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile?
The InChIKey is JBEIRILLUONHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-4-6-1-2-9(12-5-6)13-8-3-7(8)11/h1-2,5,7-8H,3,11H2,(H,12,13).
What are the key properties of 6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile?
6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile has a molecular weight of 174.21 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 43598833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).