5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile

C12H17N5 — CID 114086186

IUPAC5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCC1CN(C)CCN1c1ncc(N)cc1C#N
InChIInChI=1S/C12H17N5/c1-9-8-16(2)3-4-17(9)12-10(6-13)5-11(14)7-15-12/h5,7,9H,3-4,8,14H2,1-2H3
InChIKeyFCAZVDPKCFXZHG-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.68
Rot. Bonds1

About 5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile

5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 114086186) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID114086186
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCC1CN(C)CCN1c1ncc(N)cc1C#N
InChIInChI=1S/C12H17N5/c1-9-8-16(2)3-4-17(9)12-10(6-13)5-11(14)7-15-12/h5,7,9H,3-4,8,14H2,1-2H3
InChIKeyFCAZVDPKCFXZHG-UHFFFAOYSA-N
XLogP0.68
TPSA69.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile (CID 114086186) is 5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile is CC1CN(C)CCN1c1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is FCAZVDPKCFXZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-8-16(2)3-4-17(9)12-10(6-13)5-11(14)7-15-12/h5,7,9H,3-4,8,14H2,1-2H3.
What are the key properties of 5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile?
5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 114086186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).