3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile

C14H21N5 — CID 80515008

IUPAC3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCCC(N)C2)c(C#N)c1CC
InChIInChI=1S/C14H21N5/c1-3-11-12(8-15)14(18-17-13(11)4-2)19-7-5-6-10(16)9-19/h10H,3-7,9,16H2,1-2H3
InChIKeyFQXHOWVRBGIOCJ-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.40
Rot. Bonds3

About 3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile

3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80515008) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80515008
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCCC(N)C2)c(C#N)c1CC
InChIInChI=1S/C14H21N5/c1-3-11-12(8-15)14(18-17-13(11)4-2)19-7-5-6-10(16)9-19/h10H,3-7,9,16H2,1-2H3
InChIKeyFQXHOWVRBGIOCJ-UHFFFAOYSA-N
XLogP1.40
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile (CID 80515008) is 3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(N2CCCC(N)C2)c(C#N)c1CC.
What is the InChIKey of 3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is FQXHOWVRBGIOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-11-12(8-15)14(18-17-13(11)4-2)19-7-5-6-10(16)9-19/h10H,3-7,9,16H2,1-2H3.
What are the key properties of 3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80515008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).