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

C11H12N6 — CID 54951788

IUPAC5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NCCn1cccn1
InChIInChI=1S/C11H12N6/c12-7-9-6-10(13)8-15-11(9)14-3-5-17-4-1-2-16-17/h1-2,4,6,8H,3,5,13H2,(H,14,15)
InChIKeyRMXOFVXOFVBHMK-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.84
Rot. Bonds4

About 5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile

5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile (PubChem CID 54951788) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile
PubChem CID54951788
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NCCn1cccn1
InChIInChI=1S/C11H12N6/c12-7-9-6-10(13)8-15-11(9)14-3-5-17-4-1-2-16-17/h1-2,4,6,8H,3,5,13H2,(H,14,15)
InChIKeyRMXOFVXOFVBHMK-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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Related Compounds

5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile
CID 54951839
3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile
CID 82817533
5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carboxamide
CID 54951840
5-amino-2-(2-hydroxyethylamino)pyridine-3-carbonitrile
CID 60922494
2-amino-3-(2-pyrazol-1-ylethylamino)benzonitrile
CID 113444705
5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile
CID 113326752
2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile
CID 61491902
3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine
CID 113420419
4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile
CID 61463091
5-bromo-3-fluoro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 104918929
5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80808338
5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 63831128

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile (CID 54951788) is 5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile is N#Cc1cc(N)cnc1NCCn1cccn1.
What is the InChIKey of 5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile?
The InChIKey is RMXOFVXOFVBHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c12-7-9-6-10(13)8-15-11(9)14-3-5-17-4-1-2-16-17/h1-2,4,6,8H,3,5,13H2,(H,14,15).
What are the key properties of 5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile?
5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-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 5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 54951788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).