1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one

C11H15N3O — CID 115371155

IUPAC1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one
SMILESCc1ccc(CN2CCCNC2=O)cn1
InChIInChI=1S/C11H15N3O/c1-9-3-4-10(7-13-9)8-14-6-2-5-12-11(14)15/h3-4,7H,2,5-6,8H2,1H3,(H,12,15)
InChIKeyBMNMLKBWDUIZGX-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.31
Rot. Bonds2

About 1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one

1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one (PubChem CID 115371155) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one
PubChem CID115371155
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one
SMILESCc1ccc(CN2CCCNC2=O)cn1
InChIInChI=1S/C11H15N3O/c1-9-3-4-10(7-13-9)8-14-6-2-5-12-11(14)15/h3-4,7H,2,5-6,8H2,1H3,(H,12,15)
InChIKeyBMNMLKBWDUIZGX-UHFFFAOYSA-N
XLogP1.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one (CID 115371155) is 1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one is Cc1ccc(CN2CCCNC2=O)cn1.
What is the InChIKey of 1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one?
The InChIKey is BMNMLKBWDUIZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9-3-4-10(7-13-9)8-14-6-2-5-12-11(14)15/h3-4,7H,2,5-6,8H2,1H3,(H,12,15).
What are the key properties of 1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one?
1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one is sourced from PubChem (CID 115371155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).