6-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]-N,N-dimethylpyridazin-3-amine

C17H25N7O2 — CID 175655394

IUPAC6-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]-N,N-dimethylpyridazin-3-amine
SMILESCOc1nc(OC)nc(N2CCCC(Cc3ccc(N(C)C)nn3)C2)n1
InChIInChI=1S/C17H25N7O2/c1-23(2)14-8-7-13(21-22-14)10-12-6-5-9-24(11-12)15-18-16(25-3)20-17(19-15)26-4/h7-8,12H,5-6,9-11H2,1-4H3
InChIKeyNKQULYPWERGIHG-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.20
Rot. Bonds6

About 6-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]-N,N-dimethylpyridazin-3-amine

6-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]-N,N-dimethylpyridazin-3-amine (PubChem CID 175655394) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]-N,N-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]-N,N-dimethylpyridazin-3-amine
PubChem CID175655394
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name6-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]-N,N-dimethylpyridazin-3-amine
SMILESCOc1nc(OC)nc(N2CCCC(Cc3ccc(N(C)C)nn3)C2)n1
InChIInChI=1S/C17H25N7O2/c1-23(2)14-8-7-13(21-22-14)10-12-6-5-9-24(11-12)15-18-16(25-3)20-17(19-15)26-4/h7-8,12H,5-6,9-11H2,1-4H3
InChIKeyNKQULYPWERGIHG-UHFFFAOYSA-N
XLogP1.20
TPSA89.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]-N,N-dimethylpyridazin-3-amine with MolForge

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Related Compounds

N,N-dimethyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine
CID 73440085
2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 63392500
1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110269226
N,N-dimethyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine;dihydrochloride
CID 119057229
3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 110271613
N-(2-methoxyethyl)-N-methyl-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyridazin-3-amine
CID 95825932
N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902625
4-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]morpholine
CID 172905606
N-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine
CID 63241854
4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine
CID 95847079
N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine
CID 95841173
2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 172880777

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]-N,N-dimethylpyridazin-3-amine?
The IUPAC name of 6-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]-N,N-dimethylpyridazin-3-amine (CID 175655394) is 6-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]-N,N-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]-N,N-dimethylpyridazin-3-amine?
The canonical SMILES for 6-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]-N,N-dimethylpyridazin-3-amine is COc1nc(OC)nc(N2CCCC(Cc3ccc(N(C)C)nn3)C2)n1.
What is the InChIKey of 6-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]-N,N-dimethylpyridazin-3-amine?
The InChIKey is NKQULYPWERGIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-23(2)14-8-7-13(21-22-14)10-12-6-5-9-24(11-12)15-18-16(25-3)20-17(19-15)26-4/h7-8,12H,5-6,9-11H2,1-4H3.
What are the key properties of 6-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]-N,N-dimethylpyridazin-3-amine?
6-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]-N,N-dimethylpyridazin-3-amine has a molecular weight of 359.43 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]-N,N-dimethylpyridazin-3-amine is sourced from PubChem (CID 175655394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).