N-ethyl-N-[[4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine

C17H24N4OS — CID 71928437

IUPACN-ethyl-N-[[4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
SMILESCCN(CC1CN(CCc2cccs2)CCO1)c1cccnn1
InChIInChI=1S/C17H24N4OS/c1-2-21(17-6-3-8-18-19-17)14-15-13-20(10-11-22-15)9-7-16-5-4-12-23-16/h3-6,8,12,15H,2,7,9-11,13-14H2,1H3
InChIKeyBKVGRTUPILPTCI-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.31
Rot. Bonds7

About N-ethyl-N-[[4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine

N-ethyl-N-[[4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine (PubChem CID 71928437) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-ethyl-N-[[4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[[4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
PubChem CID71928437
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-ethyl-N-[[4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
SMILESCCN(CC1CN(CCc2cccs2)CCO1)c1cccnn1
InChIInChI=1S/C17H24N4OS/c1-2-21(17-6-3-8-18-19-17)14-15-13-20(10-11-22-15)9-7-16-5-4-12-23-16/h3-6,8,12,15H,2,7,9-11,13-14H2,1H3
InChIKeyBKVGRTUPILPTCI-UHFFFAOYSA-N
XLogP2.31
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine?
The IUPAC name of N-ethyl-N-[[4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine (CID 71928437) is N-ethyl-N-[[4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for N-ethyl-N-[[4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine?
The canonical SMILES for N-ethyl-N-[[4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine is CCN(CC1CN(CCc2cccs2)CCO1)c1cccnn1.
What is the InChIKey of N-ethyl-N-[[4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine?
The InChIKey is BKVGRTUPILPTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-2-21(17-6-3-8-18-19-17)14-15-13-20(10-11-22-15)9-7-16-5-4-12-23-16/h3-6,8,12,15H,2,7,9-11,13-14H2,1H3.
What are the key properties of N-ethyl-N-[[4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine?
N-ethyl-N-[[4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine has a molecular weight of 332.47 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 71928437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).