5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile

C14H21N5 — CID 80515330

IUPAC5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NC2CCCNC2)c(C#N)c1CC
InChIInChI=1S/C14H21N5/c1-3-11-12(8-15)14(19-18-13(11)4-2)17-10-6-5-7-16-9-10/h10,16H,3-7,9H2,1-2H3,(H,17,19)
InChIKeyHHXZFOPEYMXHOK-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.64
Rot. Bonds4

About 5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile

5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile (PubChem CID 80515330) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile
PubChem CID80515330
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NC2CCCNC2)c(C#N)c1CC
InChIInChI=1S/C14H21N5/c1-3-11-12(8-15)14(19-18-13(11)4-2)17-10-6-5-7-16-9-10/h10,16H,3-7,9H2,1-2H3,(H,17,19)
InChIKeyHHXZFOPEYMXHOK-UHFFFAOYSA-N
XLogP1.64
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile (CID 80515330) is 5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile is CCc1nnc(NC2CCCNC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile?
The InChIKey is HHXZFOPEYMXHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-11-12(8-15)14(19-18-13(11)4-2)17-10-6-5-7-16-9-10/h10,16H,3-7,9H2,1-2H3,(H,17,19).
What are the key properties of 5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile?
5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80515330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).