N-[1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]piperidin-4-yl]-N-methylpyridazin-3-amine

C17H27N7 — CID 136548916

IUPACN-[1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]piperidin-4-yl]-N-methylpyridazin-3-amine
SMILESCN(C)c1ncc(CN2CCC(N(C)c3cccnn3)CC2)n1C
InChIInChI=1S/C17H27N7/c1-21(2)17-18-12-15(23(17)4)13-24-10-7-14(8-11-24)22(3)16-6-5-9-19-20-16/h5-6,9,12,14H,7-8,10-11,13H2,1-4H3
InChIKeyFSHAANYEWOBHJU-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.38
Rot. Bonds5

About N-[1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]piperidin-4-yl]-N-methylpyridazin-3-amine

N-[1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]piperidin-4-yl]-N-methylpyridazin-3-amine (PubChem CID 136548916) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]piperidin-4-yl]-N-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]piperidin-4-yl]-N-methylpyridazin-3-amine
PubChem CID136548916
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC NameN-[1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]piperidin-4-yl]-N-methylpyridazin-3-amine
SMILESCN(C)c1ncc(CN2CCC(N(C)c3cccnn3)CC2)n1C
InChIInChI=1S/C17H27N7/c1-21(2)17-18-12-15(23(17)4)13-24-10-7-14(8-11-24)22(3)16-6-5-9-19-20-16/h5-6,9,12,14H,7-8,10-11,13H2,1-4H3
InChIKeyFSHAANYEWOBHJU-UHFFFAOYSA-N
XLogP1.38
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]piperidin-4-yl]-N-methylpyridazin-3-amine?
The IUPAC name of N-[1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]piperidin-4-yl]-N-methylpyridazin-3-amine (CID 136548916) is N-[1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]piperidin-4-yl]-N-methylpyridazin-3-amine.
What is the SMILES notation for N-[1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]piperidin-4-yl]-N-methylpyridazin-3-amine?
The canonical SMILES for N-[1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]piperidin-4-yl]-N-methylpyridazin-3-amine is CN(C)c1ncc(CN2CCC(N(C)c3cccnn3)CC2)n1C.
What is the InChIKey of N-[1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]piperidin-4-yl]-N-methylpyridazin-3-amine?
The InChIKey is FSHAANYEWOBHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7/c1-21(2)17-18-12-15(23(17)4)13-24-10-7-14(8-11-24)22(3)16-6-5-9-19-20-16/h5-6,9,12,14H,7-8,10-11,13H2,1-4H3.
What are the key properties of N-[1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]piperidin-4-yl]-N-methylpyridazin-3-amine?
N-[1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]piperidin-4-yl]-N-methylpyridazin-3-amine has a molecular weight of 329.45 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]piperidin-4-yl]-N-methylpyridazin-3-amine is sourced from PubChem (CID 136548916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).