4,6-dimethyl-5-(4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)diazinan-3-one

C19H20N4O2 — CID 145453059

IUPAC4,6-dimethyl-5-(4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)diazinan-3-one
SMILESCC1NNC(=O)C(C)C1c1ccc(Oc2nccn3cccc23)cc1
InChIInChI=1S/C19H20N4O2/c1-12-17(13(2)21-22-18(12)24)14-5-7-15(8-6-14)25-19-16-4-3-10-23(16)11-9-20-19/h3-13,17,21H,1-2H3,(H,22,24)
InChIKeyGNAASGCAUYRAAS-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.87
Rot. Bonds3

About 4,6-dimethyl-5-(4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)diazinan-3-one

4,6-dimethyl-5-(4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)diazinan-3-one (PubChem CID 145453059) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4,6-dimethyl-5-(4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)diazinan-3-one.

Molecular Properties

Compound Name4,6-dimethyl-5-(4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)diazinan-3-one
PubChem CID145453059
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4,6-dimethyl-5-(4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)diazinan-3-one
SMILESCC1NNC(=O)C(C)C1c1ccc(Oc2nccn3cccc23)cc1
InChIInChI=1S/C19H20N4O2/c1-12-17(13(2)21-22-18(12)24)14-5-7-15(8-6-14)25-19-16-4-3-10-23(16)11-9-20-19/h3-13,17,21H,1-2H3,(H,22,24)
InChIKeyGNAASGCAUYRAAS-UHFFFAOYSA-N
XLogP2.87
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-(4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)diazinan-3-one?
The IUPAC name of 4,6-dimethyl-5-(4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)diazinan-3-one (CID 145453059) is 4,6-dimethyl-5-(4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)diazinan-3-one.
What is the SMILES notation for 4,6-dimethyl-5-(4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)diazinan-3-one?
The canonical SMILES for 4,6-dimethyl-5-(4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)diazinan-3-one is CC1NNC(=O)C(C)C1c1ccc(Oc2nccn3cccc23)cc1.
What is the InChIKey of 4,6-dimethyl-5-(4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)diazinan-3-one?
The InChIKey is GNAASGCAUYRAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-17(13(2)21-22-18(12)24)14-5-7-15(8-6-14)25-19-16-4-3-10-23(16)11-9-20-19/h3-13,17,21H,1-2H3,(H,22,24).
What are the key properties of 4,6-dimethyl-5-(4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)diazinan-3-one?
4,6-dimethyl-5-(4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)diazinan-3-one has a molecular weight of 336.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-(4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)diazinan-3-one is sourced from PubChem (CID 145453059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).