2-(3-chlorophenyl)-5-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine

C15H15ClN6O — CID 133487015

IUPAC2-(3-chlorophenyl)-5-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
SMILESCC1COC(c2cccc(Cl)c2)CN1c1ccc2nnnn2n1
InChIInChI=1S/C15H15ClN6O/c1-10-9-23-13(11-3-2-4-12(16)7-11)8-21(10)15-6-5-14-17-19-20-22(14)18-15/h2-7,10,13H,8-9H2,1H3
InChIKeyZXTNMWWLBGCZRZ-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.14
Rot. Bonds2

About 2-(3-chlorophenyl)-5-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine

2-(3-chlorophenyl)-5-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine (PubChem CID 133487015) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
PubChem CID133487015
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC Name2-(3-chlorophenyl)-5-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
SMILESCC1COC(c2cccc(Cl)c2)CN1c1ccc2nnnn2n1
InChIInChI=1S/C15H15ClN6O/c1-10-9-23-13(11-3-2-4-12(16)7-11)8-21(10)15-6-5-14-17-19-20-22(14)18-15/h2-7,10,13H,8-9H2,1H3
InChIKeyZXTNMWWLBGCZRZ-UHFFFAOYSA-N
XLogP2.14
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine (CID 133487015) is 2-(3-chlorophenyl)-5-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine is CC1COC(c2cccc(Cl)c2)CN1c1ccc2nnnn2n1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine?
The InChIKey is ZXTNMWWLBGCZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O/c1-10-9-23-13(11-3-2-4-12(16)7-11)8-21(10)15-6-5-14-17-19-20-22(14)18-15/h2-7,10,13H,8-9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine?
2-(3-chlorophenyl)-5-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine has a molecular weight of 330.78 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine is sourced from PubChem (CID 133487015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).