N-methyl-N-[[6-(6-methylpyridazin-3-yl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-3-yl]methyl]propan-2-amine

C16H28N6 — CID 134071728

IUPACN-methyl-N-[[6-(6-methylpyridazin-3-yl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-3-yl]methyl]propan-2-amine
SMILESCc1ccc(N2CCC3C(C2)NNC3CN(C)C(C)C)nn1
InChIInChI=1S/C16H28N6/c1-11(2)21(4)9-14-13-7-8-22(10-15(13)19-18-14)16-6-5-12(3)17-20-16/h5-6,11,13-15,18-19H,7-10H2,1-4H3
InChIKeyJTIKLIOQPBUYMT-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.80
Rot. Bonds4

About N-methyl-N-[[6-(6-methylpyridazin-3-yl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-3-yl]methyl]propan-2-amine

N-methyl-N-[[6-(6-methylpyridazin-3-yl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-3-yl]methyl]propan-2-amine (PubChem CID 134071728) has the molecular formula C16H28N6 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-methyl-N-[[6-(6-methylpyridazin-3-yl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[6-(6-methylpyridazin-3-yl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-3-yl]methyl]propan-2-amine
PubChem CID134071728
Molecular FormulaC16H28N6
Molecular Weight304.44 g/mol
Exact Mass304.24
IUPAC NameN-methyl-N-[[6-(6-methylpyridazin-3-yl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-3-yl]methyl]propan-2-amine
SMILESCc1ccc(N2CCC3C(C2)NNC3CN(C)C(C)C)nn1
InChIInChI=1S/C16H28N6/c1-11(2)21(4)9-14-13-7-8-22(10-15(13)19-18-14)16-6-5-12(3)17-20-16/h5-6,11,13-15,18-19H,7-10H2,1-4H3
InChIKeyJTIKLIOQPBUYMT-UHFFFAOYSA-N
XLogP0.80
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[[6-(6-methylpyridazin-3-yl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

[3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone
CID 134075143
3-methyl-6-(3-methylpiperazin-1-yl)pyridazine
CID 62478379
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342238
3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-6-methylpyridazine
CID 67965093
3-methyl-6-(4-methylpiperidin-1-yl)pyridazine
CID 59712116
1-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethanamine
CID 115315932
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
1-(6-methylpyridazin-3-yl)piperidin-4-amine
CID 61311173
N-methyl-N-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 166287188
3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
CID 80670031
N-[[(3aR,4R,7aS)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl]methyl]-N-methylcyclopropanamine
CID 97409934
(1S)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
CID 100838546

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[6-(6-methylpyridazin-3-yl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[6-(6-methylpyridazin-3-yl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-3-yl]methyl]propan-2-amine (CID 134071728) is N-methyl-N-[[6-(6-methylpyridazin-3-yl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[6-(6-methylpyridazin-3-yl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[6-(6-methylpyridazin-3-yl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-3-yl]methyl]propan-2-amine is Cc1ccc(N2CCC3C(C2)NNC3CN(C)C(C)C)nn1.
What is the InChIKey of N-methyl-N-[[6-(6-methylpyridazin-3-yl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-3-yl]methyl]propan-2-amine?
The InChIKey is JTIKLIOQPBUYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6/c1-11(2)21(4)9-14-13-7-8-22(10-15(13)19-18-14)16-6-5-12(3)17-20-16/h5-6,11,13-15,18-19H,7-10H2,1-4H3.
What are the key properties of N-methyl-N-[[6-(6-methylpyridazin-3-yl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-3-yl]methyl]propan-2-amine?
N-methyl-N-[[6-(6-methylpyridazin-3-yl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-3-yl]methyl]propan-2-amine has a molecular weight of 304.44 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[6-(6-methylpyridazin-3-yl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 134071728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).