1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile

C12H14N6 — CID 178106501

IUPAC1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile
SMILESCc1nc(N2CCCC(C#N)C2)c2cn[nH]c2n1
InChIInChI=1S/C12H14N6/c1-8-15-11-10(6-14-17-11)12(16-8)18-4-2-3-9(5-13)7-18/h6,9H,2-4,7H2,1H3,(H,14,15,16,17)
InChIKeyVSSSLFQQYJNWJB-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.40
Rot. Bonds1

About 1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile

1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile (PubChem CID 178106501) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile
PubChem CID178106501
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile
SMILESCc1nc(N2CCCC(C#N)C2)c2cn[nH]c2n1
InChIInChI=1S/C12H14N6/c1-8-15-11-10(6-14-17-11)12(16-8)18-4-2-3-9(5-13)7-18/h6,9H,2-4,7H2,1H3,(H,14,15,16,17)
InChIKeyVSSSLFQQYJNWJB-UHFFFAOYSA-N
XLogP1.40
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile?
The IUPAC name of 1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile (CID 178106501) is 1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile is Cc1nc(N2CCCC(C#N)C2)c2cn[nH]c2n1.
What is the InChIKey of 1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile?
The InChIKey is VSSSLFQQYJNWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-8-15-11-10(6-14-17-11)12(16-8)18-4-2-3-9(5-13)7-18/h6,9H,2-4,7H2,1H3,(H,14,15,16,17).
What are the key properties of 1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile?
1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile has a molecular weight of 242.29 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile is sourced from PubChem (CID 178106501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).