6-[[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]pyridine-3-carbonitrile

C16H16N6 — CID 97226253

IUPAC6-[[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]pyridine-3-carbonitrile
SMILESCC(C)[C@H](Nc1ccc(C#N)cn1)c1nnc2ccccn12
InChIInChI=1S/C16H16N6/c1-11(2)15(19-13-7-6-12(9-17)10-18-13)16-21-20-14-5-3-4-8-22(14)16/h3-8,10-11,15H,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyHUXRRMCBJBDVGL-HNNXBMFYSA-N
MW292.35 g/mol
LogP2.81
Rot. Bonds4

About 6-[[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]pyridine-3-carbonitrile

6-[[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]pyridine-3-carbonitrile (PubChem CID 97226253) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 6-[[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]pyridine-3-carbonitrile
PubChem CID97226253
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name6-[[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]pyridine-3-carbonitrile
SMILESCC(C)[C@H](Nc1ccc(C#N)cn1)c1nnc2ccccn12
InChIInChI=1S/C16H16N6/c1-11(2)15(19-13-7-6-12(9-17)10-18-13)16-21-20-14-5-3-4-8-22(14)16/h3-8,10-11,15H,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyHUXRRMCBJBDVGL-HNNXBMFYSA-N
XLogP2.81
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]pyridine-3-carbonitrile (CID 97226253) is 6-[[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]pyridine-3-carbonitrile is CC(C)[C@H](Nc1ccc(C#N)cn1)c1nnc2ccccn12.
What is the InChIKey of 6-[[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]pyridine-3-carbonitrile?
The InChIKey is HUXRRMCBJBDVGL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16N6/c1-11(2)15(19-13-7-6-12(9-17)10-18-13)16-21-20-14-5-3-4-8-22(14)16/h3-8,10-11,15H,1-2H3,(H,18,19)/t15-/m0/s1.
What are the key properties of 6-[[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]pyridine-3-carbonitrile?
6-[[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]pyridine-3-carbonitrile has a molecular weight of 292.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 97226253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).