1,4,6-tris(methylamino)pyridin-2-one

C8H14N4O — CID 174603024

IUPAC1,4,6-tris(methylamino)pyridin-2-one
SMILESCNc1cc(NC)n(NC)c(=O)c1
InChIInChI=1S/C8H14N4O/c1-9-6-4-7(10-2)12(11-3)8(13)5-6/h4-5,9-11H,1-3H3
InChIKeyGKFSHPCCSQEFHN-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.10
Rot. Bonds3

About 1,4,6-tris(methylamino)pyridin-2-one

1,4,6-tris(methylamino)pyridin-2-one (PubChem CID 174603024) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1,4,6-tris(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1,4,6-tris(methylamino)pyridin-2-one
PubChem CID174603024
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1,4,6-tris(methylamino)pyridin-2-one
SMILESCNc1cc(NC)n(NC)c(=O)c1
InChIInChI=1S/C8H14N4O/c1-9-6-4-7(10-2)12(11-3)8(13)5-6/h4-5,9-11H,1-3H3
InChIKeyGKFSHPCCSQEFHN-UHFFFAOYSA-N
XLogP0.10
TPSA58.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-tris(methylamino)pyridin-2-one?
The IUPAC name of 1,4,6-tris(methylamino)pyridin-2-one (CID 174603024) is 1,4,6-tris(methylamino)pyridin-2-one.
What is the SMILES notation for 1,4,6-tris(methylamino)pyridin-2-one?
The canonical SMILES for 1,4,6-tris(methylamino)pyridin-2-one is CNc1cc(NC)n(NC)c(=O)c1.
What is the InChIKey of 1,4,6-tris(methylamino)pyridin-2-one?
The InChIKey is GKFSHPCCSQEFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-9-6-4-7(10-2)12(11-3)8(13)5-6/h4-5,9-11H,1-3H3.
What are the key properties of 1,4,6-tris(methylamino)pyridin-2-one?
1,4,6-tris(methylamino)pyridin-2-one has a molecular weight of 182.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-tris(methylamino)pyridin-2-one is sourced from PubChem (CID 174603024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).