5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile

C16H25N5 — CID 106642345

IUPAC5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile
SMILESCCCN(CC1CCCCN1)c1nnc(C)c(C)c1C#N
InChIInChI=1S/C16H25N5/c1-4-9-21(11-14-7-5-6-8-18-14)16-15(10-17)12(2)13(3)19-20-16/h14,18H,4-9,11H2,1-3H3
InChIKeyNKZFFTVBDKYBEK-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.32
Rot. Bonds5

About 5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile (PubChem CID 106642345) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile
PubChem CID106642345
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile
SMILESCCCN(CC1CCCCN1)c1nnc(C)c(C)c1C#N
InChIInChI=1S/C16H25N5/c1-4-9-21(11-14-7-5-6-8-18-14)16-15(10-17)12(2)13(3)19-20-16/h14,18H,4-9,11H2,1-3H3
InChIKeyNKZFFTVBDKYBEK-UHFFFAOYSA-N
XLogP2.32
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 106640993
5,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propyl-1,2,4-triazin-3-amine
CID 106642559
5,6-dimethyl-3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516526
3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 106641792
5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile
CID 106642589
4,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642566
5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516247
5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
CID 106642340
3-fluoro-4-[piperidin-2-ylmethyl(propyl)amino]benzonitrile
CID 106642506
2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552774
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile
CID 106641449
5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine
CID 106642309

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile (CID 106642345) is 5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile is CCCN(CC1CCCCN1)c1nnc(C)c(C)c1C#N.
What is the InChIKey of 5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile?
The InChIKey is NKZFFTVBDKYBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-4-9-21(11-14-7-5-6-8-18-14)16-15(10-17)12(2)13(3)19-20-16/h14,18H,4-9,11H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile has a molecular weight of 287.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 106642345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).