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

C13H19N5 — CID 80514934

IUPAC3-[2-(aminomethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N2CCCCC2CN)c(C#N)c1C
InChIInChI=1S/C13H19N5/c1-9-10(2)16-17-13(12(9)8-15)18-6-4-3-5-11(18)7-14/h11H,3-7,14H2,1-2H3
InChIKeyCTWPURQWWOOGBN-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.28
Rot. Bonds2

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

3-[2-(aminomethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 80514934) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[2-(aminomethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(aminomethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID80514934
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-[2-(aminomethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N2CCCCC2CN)c(C#N)c1C
InChIInChI=1S/C13H19N5/c1-9-10(2)16-17-13(12(9)8-15)18-6-4-3-5-11(18)7-14/h11H,3-7,14H2,1-2H3
InChIKeyCTWPURQWWOOGBN-UHFFFAOYSA-N
XLogP1.28
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(aminomethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile
CID 115313360
3-[4-(2-aminoethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 80515197
3-(2-ethyl-5-methylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 83227031
3-(4-formylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 80516292
[(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide
CID 95623005
3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 63091576
2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine
CID 63767576
[1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine
CID 116640271
[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-2-yl]methanamine
CID 65168676
2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide
CID 63761971
2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 61175735
5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 95590461

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[2-(aminomethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile (CID 80514934) is 3-[2-(aminomethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-(aminomethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-(aminomethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(N2CCCCC2CN)c(C#N)c1C.
What is the InChIKey of 3-[2-(aminomethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is CTWPURQWWOOGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9-10(2)16-17-13(12(9)8-15)18-6-4-3-5-11(18)7-14/h11H,3-7,14H2,1-2H3.
What are the key properties of 3-[2-(aminomethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile?
3-[2-(aminomethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80514934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).