N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine

C12H20N4O — CID 62284394

IUPACN-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C12H20N4O/c1-10(2)13-9-11-3-4-12(15-14-11)16-5-7-17-8-6-16/h3-4,10,13H,5-9H2,1-2H3
InChIKeyHADFEVRCDAVSPO-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.81
Rot. Bonds4

About N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine

N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine (PubChem CID 62284394) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine
PubChem CID62284394
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C12H20N4O/c1-10(2)13-9-11-3-4-12(15-14-11)16-5-7-17-8-6-16/h3-4,10,13H,5-9H2,1-2H3
InChIKeyHADFEVRCDAVSPO-UHFFFAOYSA-N
XLogP0.81
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine (CID 62284394) is N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine is CC(C)NCc1ccc(N2CCOCC2)nn1.
What is the InChIKey of N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine?
The InChIKey is HADFEVRCDAVSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(2)13-9-11-3-4-12(15-14-11)16-5-7-17-8-6-16/h3-4,10,13H,5-9H2,1-2H3.
What are the key properties of N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine?
N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine has a molecular weight of 236.32 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 62284394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).