6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione

C13H13N7O2 — CID 16761612

IUPAC6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)c2nc(NCc3cccnc3)nnc2n(C)c1=O
InChIInChI=1S/C13H13N7O2/c1-19-10-9(11(21)20(2)13(19)22)16-12(18-17-10)15-7-8-4-3-5-14-6-8/h3-6H,7H2,1-2H3,(H,15,16,18)
InChIKeyUKFPGVBLRTTZMC-UHFFFAOYSA-N
MW299.29 g/mol
LogP-0.57
Rot. Bonds3

About 6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione

6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 16761612) has the molecular formula C13H13N7O2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID16761612
Molecular FormulaC13H13N7O2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)c2nc(NCc3cccnc3)nnc2n(C)c1=O
InChIInChI=1S/C13H13N7O2/c1-19-10-9(11(21)20(2)13(19)22)16-12(18-17-10)15-7-8-4-3-5-14-6-8/h3-6H,7H2,1-2H3,(H,15,16,18)
InChIKeyUKFPGVBLRTTZMC-UHFFFAOYSA-N
XLogP-0.57
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione with MolForge

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Related Compounds

6-methyl-3-(2-piperidin-1-ylethylamino)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67307821
5,6-dimethyl-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
CID 114383128
1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide
CID 7475220
1,3-dimethyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 28671943
1,3-dimethyl-2,4,7-trioxo-8-phenyl-5-(pyridin-3-ylmethylamino)pyrido[2,3-d]pyrimidine-6-carbaldehyde
CID 2786441
3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67307263
6-methyl-8-(pyridin-3-ylmethyl)-3-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67307946
3-[4-[2-(diethylamino)ethylamino]phenyl]-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67306697
2-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 75356077
2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine
CID 140906921
1-methyl-N-(pyridin-3-ylmethyl)tetrazol-5-amine
CID 18801252
6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 154751912

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 16761612) is 6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione is Cn1c(=O)c2nc(NCc3cccnc3)nnc2n(C)c1=O.
What is the InChIKey of 6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is UKFPGVBLRTTZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2/c1-19-10-9(11(21)20(2)13(19)22)16-12(18-17-10)15-7-8-4-3-5-14-6-8/h3-6H,7H2,1-2H3,(H,15,16,18).
What are the key properties of 6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 299.29 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 16761612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).