4-[6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine

C21H22N6O2 — CID 46200711

IUPAC4-[6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine
SMILESCOc1cc(N2CCOCC2)cc2c1nnc1c(C)nc(-c3ccncc3C)n12
InChIInChI=1S/C21H22N6O2/c1-13-12-22-5-4-16(13)21-23-14(2)20-25-24-19-17(27(20)21)10-15(11-18(19)28-3)26-6-8-29-9-7-26/h4-5,10-12H,6-9H2,1-3H3
InChIKeyLZYLOUZRUVTOJN-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.80
Rot. Bonds3

About 4-[6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine

4-[6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine (PubChem CID 46200711) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-[6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine
PubChem CID46200711
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name4-[6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine
SMILESCOc1cc(N2CCOCC2)cc2c1nnc1c(C)nc(-c3ccncc3C)n12
InChIInChI=1S/C21H22N6O2/c1-13-12-22-5-4-16(13)21-23-14(2)20-25-24-19-17(27(20)21)10-15(11-18(19)28-3)26-6-8-29-9-7-26/h4-5,10-12H,6-9H2,1-3H3
InChIKeyLZYLOUZRUVTOJN-UHFFFAOYSA-N
XLogP2.80
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine?
The IUPAC name of 4-[6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine (CID 46200711) is 4-[6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine.
What is the SMILES notation for 4-[6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine?
The canonical SMILES for 4-[6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine is COc1cc(N2CCOCC2)cc2c1nnc1c(C)nc(-c3ccncc3C)n12.
What is the InChIKey of 4-[6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine?
The InChIKey is LZYLOUZRUVTOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-13-12-22-5-4-16(13)21-23-14(2)20-25-24-19-17(27(20)21)10-15(11-18(19)28-3)26-6-8-29-9-7-26/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 4-[6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine?
4-[6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine has a molecular weight of 390.45 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazin-8-yl]morpholine is sourced from PubChem (CID 46200711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).