N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine

C15H24N4O — CID 114412860

IUPACN-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine
SMILESCOCC1=CCN(c2ccc(CNC(C)C)nn2)CC1
InChIInChI=1S/C15H24N4O/c1-12(2)16-10-14-4-5-15(18-17-14)19-8-6-13(7-9-19)11-20-3/h4-6,12,16H,7-11H2,1-3H3
InChIKeyQYKOVSUXVALLNU-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.76
Rot. Bonds6

About N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine

N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine (PubChem CID 114412860) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine
PubChem CID114412860
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine
SMILESCOCC1=CCN(c2ccc(CNC(C)C)nn2)CC1
InChIInChI=1S/C15H24N4O/c1-12(2)16-10-14-4-5-15(18-17-14)19-8-6-13(7-9-19)11-20-3/h4-6,12,16H,7-11H2,1-3H3
InChIKeyQYKOVSUXVALLNU-UHFFFAOYSA-N
XLogP1.76
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine (CID 114412860) is N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine is COCC1=CCN(c2ccc(CNC(C)C)nn2)CC1.
What is the InChIKey of N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine?
The InChIKey is QYKOVSUXVALLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(2)16-10-14-4-5-15(18-17-14)19-8-6-13(7-9-19)11-20-3/h4-6,12,16H,7-11H2,1-3H3.
What are the key properties of N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine?
N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine has a molecular weight of 276.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114412860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).