3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile

C11H12N6 — CID 82817533

IUPAC3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCn2cccn2)c1N
InChIInChI=1S/C11H12N6/c12-8-9-2-4-14-11(10(9)13)15-5-7-17-6-1-3-16-17/h1-4,6H,5,7,13H2,(H,14,15)
InChIKeyPJVHOLLGNIGBMS-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.84
Rot. Bonds4

About 3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile

3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile (PubChem CID 82817533) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile
PubChem CID82817533
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCn2cccn2)c1N
InChIInChI=1S/C11H12N6/c12-8-9-2-4-14-11(10(9)13)15-5-7-17-6-1-3-16-17/h1-4,6H,5,7,13H2,(H,14,15)
InChIKeyPJVHOLLGNIGBMS-UHFFFAOYSA-N
XLogP0.84
TPSA92.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile (CID 82817533) is 3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NCCn2cccn2)c1N.
What is the InChIKey of 3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile?
The InChIKey is PJVHOLLGNIGBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c12-8-9-2-4-14-11(10(9)13)15-5-7-17-6-1-3-16-17/h1-4,6H,5,7,13H2,(H,14,15).
What are the key properties of 3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile?
3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile has a molecular weight of 228.26 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 82817533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).