3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile

C16H25N5 — CID 56817331

IUPAC3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N2CCC(CCN(C)C)CC2)c(C#N)c1C
InChIInChI=1S/C16H25N5/c1-12-13(2)18-19-16(15(12)11-17)21-9-6-14(7-10-21)5-8-20(3)4/h14H,5-10H2,1-4H3
InChIKeyDLMUWDOUCXZMSX-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.13
Rot. Bonds4

About 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile

3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 56817331) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID56817331
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N2CCC(CCN(C)C)CC2)c(C#N)c1C
InChIInChI=1S/C16H25N5/c1-12-13(2)18-19-16(15(12)11-17)21-9-6-14(7-10-21)5-8-20(3)4/h14H,5-10H2,1-4H3
InChIKeyDLMUWDOUCXZMSX-UHFFFAOYSA-N
XLogP2.13
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile (CID 56817331) is 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(N2CCC(CCN(C)C)CC2)c(C#N)c1C.
What is the InChIKey of 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is DLMUWDOUCXZMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-12-13(2)18-19-16(15(12)11-17)21-9-6-14(7-10-21)5-8-20(3)4/h14H,5-10H2,1-4H3.
What are the key properties of 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile?
3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 287.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 56817331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).