1,3-dimethyl-4,6-dimethylidene-1,3,5-triazinan-2-one

C7H11N3O — CID 170253052

IUPAC1,3-dimethyl-4,6-dimethylidene-1,3,5-triazinan-2-one
SMILESC=C1NC(=C)N(C)C(=O)N1C
InChIInChI=1S/C7H11N3O/c1-5-8-6(2)10(4)7(11)9(5)3/h8H,1-2H2,3-4H3
InChIKeyQQNDSKKXSMVVNX-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.52
Rot. Bonds

About 1,3-dimethyl-4,6-dimethylidene-1,3,5-triazinan-2-one

1,3-dimethyl-4,6-dimethylidene-1,3,5-triazinan-2-one (PubChem CID 170253052) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 1,3-dimethyl-4,6-dimethylidene-1,3,5-triazinan-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4,6-dimethylidene-1,3,5-triazinan-2-one
PubChem CID170253052
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name1,3-dimethyl-4,6-dimethylidene-1,3,5-triazinan-2-one
SMILESC=C1NC(=C)N(C)C(=O)N1C
InChIInChI=1S/C7H11N3O/c1-5-8-6(2)10(4)7(11)9(5)3/h8H,1-2H2,3-4H3
InChIKeyQQNDSKKXSMVVNX-UHFFFAOYSA-N
XLogP0.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4,6-dimethylidene-1,3,5-triazinan-2-one?
The IUPAC name of 1,3-dimethyl-4,6-dimethylidene-1,3,5-triazinan-2-one (CID 170253052) is 1,3-dimethyl-4,6-dimethylidene-1,3,5-triazinan-2-one.
What is the SMILES notation for 1,3-dimethyl-4,6-dimethylidene-1,3,5-triazinan-2-one?
The canonical SMILES for 1,3-dimethyl-4,6-dimethylidene-1,3,5-triazinan-2-one is C=C1NC(=C)N(C)C(=O)N1C.
What is the InChIKey of 1,3-dimethyl-4,6-dimethylidene-1,3,5-triazinan-2-one?
The InChIKey is QQNDSKKXSMVVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-8-6(2)10(4)7(11)9(5)3/h8H,1-2H2,3-4H3.
What are the key properties of 1,3-dimethyl-4,6-dimethylidene-1,3,5-triazinan-2-one?
1,3-dimethyl-4,6-dimethylidene-1,3,5-triazinan-2-one has a molecular weight of 153.18 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4,6-dimethylidene-1,3,5-triazinan-2-one is sourced from PubChem (CID 170253052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).