6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazin-3-amine

C17H26N6O — CID 110257798

IUPAC6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazin-3-amine
SMILESCOCCNc1ccc(CC2CCCN(Cc3cnc[nH]3)C2)nn1
InChIInChI=1S/C17H26N6O/c1-24-8-6-19-17-5-4-15(21-22-17)9-14-3-2-7-23(11-14)12-16-10-18-13-20-16/h4-5,10,13-14H,2-3,6-9,11-12H2,1H3,(H,18,20)(H,19,22)
InChIKeyYYFDSVMXNXCFBS-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.71
Rot. Bonds8

About 6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazin-3-amine

6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazin-3-amine (PubChem CID 110257798) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazin-3-amine
PubChem CID110257798
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazin-3-amine
SMILESCOCCNc1ccc(CC2CCCN(Cc3cnc[nH]3)C2)nn1
InChIInChI=1S/C17H26N6O/c1-24-8-6-19-17-5-4-15(21-22-17)9-14-3-2-7-23(11-14)12-16-10-18-13-20-16/h4-5,10,13-14H,2-3,6-9,11-12H2,1H3,(H,18,20)(H,19,22)
InChIKeyYYFDSVMXNXCFBS-UHFFFAOYSA-N
XLogP1.71
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine
CID 95847136
N-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid
CID 118747416
2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95847101
N-(2-methoxyethyl)-6-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]pyridazin-3-amine
CID 110271611
(3S)-1-(1H-imidazol-5-ylmethyl)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124980427
4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
CID 124974631
4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine
CID 110105773
(3S)-3-(imidazol-1-ylmethyl)-1-(1H-imidazol-5-ylmethyl)piperidine
CID 99962032
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 125177932
(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine
CID 59880780
1,5-bis(1H-imidazol-5-ylmethyl)-1,5-diazocane
CID 71447015
3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine
CID 45249520

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazin-3-amine?
The IUPAC name of 6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazin-3-amine (CID 110257798) is 6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazin-3-amine.
What is the SMILES notation for 6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazin-3-amine?
The canonical SMILES for 6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazin-3-amine is COCCNc1ccc(CC2CCCN(Cc3cnc[nH]3)C2)nn1.
What is the InChIKey of 6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazin-3-amine?
The InChIKey is YYFDSVMXNXCFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-24-8-6-19-17-5-4-15(21-22-17)9-14-3-2-7-23(11-14)12-16-10-18-13-20-16/h4-5,10,13-14H,2-3,6-9,11-12H2,1H3,(H,18,20)(H,19,22).
What are the key properties of 6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazin-3-amine?
6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazin-3-amine has a molecular weight of 330.44 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazin-3-amine is sourced from PubChem (CID 110257798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).