4-amino-7-piperidin-1-ylpyrazolo[5,1-c][1,2,4]triazine-3,8-dicarbonitrile

C12H12N8 — CID 71698706

IUPAC4-amino-7-piperidin-1-ylpyrazolo[5,1-c][1,2,4]triazine-3,8-dicarbonitrile
SMILESN#Cc1nnc2c(C#N)c(N3CCCCC3)nn2c1N
InChIInChI=1S/C12H12N8/c13-6-8-11-17-16-9(7-14)10(15)20(11)18-12(8)19-4-2-1-3-5-19/h1-5,15H2
InChIKeyQSBPVJYFEMXRQX-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.44
Rot. Bonds1

About 4-amino-7-piperidin-1-ylpyrazolo[5,1-c][1,2,4]triazine-3,8-dicarbonitrile

4-amino-7-piperidin-1-ylpyrazolo[5,1-c][1,2,4]triazine-3,8-dicarbonitrile (PubChem CID 71698706) has the molecular formula C12H12N8 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-amino-7-piperidin-1-ylpyrazolo[5,1-c][1,2,4]triazine-3,8-dicarbonitrile.

Molecular Properties

Compound Name4-amino-7-piperidin-1-ylpyrazolo[5,1-c][1,2,4]triazine-3,8-dicarbonitrile
PubChem CID71698706
Molecular FormulaC12H12N8
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name4-amino-7-piperidin-1-ylpyrazolo[5,1-c][1,2,4]triazine-3,8-dicarbonitrile
SMILESN#Cc1nnc2c(C#N)c(N3CCCCC3)nn2c1N
InChIInChI=1S/C12H12N8/c13-6-8-11-17-16-9(7-14)10(15)20(11)18-12(8)19-4-2-1-3-5-19/h1-5,15H2
InChIKeyQSBPVJYFEMXRQX-UHFFFAOYSA-N
XLogP0.44
TPSA119.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-piperidin-1-ylpyrazolo[5,1-c][1,2,4]triazine-3,8-dicarbonitrile?
The IUPAC name of 4-amino-7-piperidin-1-ylpyrazolo[5,1-c][1,2,4]triazine-3,8-dicarbonitrile (CID 71698706) is 4-amino-7-piperidin-1-ylpyrazolo[5,1-c][1,2,4]triazine-3,8-dicarbonitrile.
What is the SMILES notation for 4-amino-7-piperidin-1-ylpyrazolo[5,1-c][1,2,4]triazine-3,8-dicarbonitrile?
The canonical SMILES for 4-amino-7-piperidin-1-ylpyrazolo[5,1-c][1,2,4]triazine-3,8-dicarbonitrile is N#Cc1nnc2c(C#N)c(N3CCCCC3)nn2c1N.
What is the InChIKey of 4-amino-7-piperidin-1-ylpyrazolo[5,1-c][1,2,4]triazine-3,8-dicarbonitrile?
The InChIKey is QSBPVJYFEMXRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N8/c13-6-8-11-17-16-9(7-14)10(15)20(11)18-12(8)19-4-2-1-3-5-19/h1-5,15H2.
What are the key properties of 4-amino-7-piperidin-1-ylpyrazolo[5,1-c][1,2,4]triazine-3,8-dicarbonitrile?
4-amino-7-piperidin-1-ylpyrazolo[5,1-c][1,2,4]triazine-3,8-dicarbonitrile has a molecular weight of 268.28 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-piperidin-1-ylpyrazolo[5,1-c][1,2,4]triazine-3,8-dicarbonitrile is sourced from PubChem (CID 71698706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).